Hypothetical chemical compounds

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Hexazine (also known as hexaazabenzene) is a hypothetical allotrope of nitrogen composed of 6 nitrogen atoms arranged in a ring-like structure analogous to that of benzene. As a neutrally charged species, hexazine would be the final member of the azabenzene (azine) series, in which all of the methine groups of the benzene molecule have been replaced with nitrogen atoms. The two last members of this series, hexazine and pentazine, have not been observed, although all other members of the azine series have (such as pyridine, pyrimidine, pyridazine, pyrazine, triazines, and tetrazines).

chemical compound

Tetrahedrane is a hypothetical platonic hydrocarbon with chemical formula and a tetrahedral structure. The molecule would be subject to considerable angle strain and has not been synthesized . However, a number of derivatives have been prepared. In a more general sense, the term tetrahedranes is used to describe a class of molecules and ions with related structure, e.g. white phosphorus.

chemical compound

Polywater was a hypothesized polymerized form of water that was the subject of much scientific controversy during the late 1960s, first described by Soviet scientist Nikolai Fedyakin. By 1969 the popular press had taken notice of Western attempts to recreate the substance and sparked fears of a "polywater gap" between the United States and Soviet Union. Increased press attention also brought with it increased scientific attention, and as early as 1970 doubts about its authenticity were being circulated. By 1973 it was found to be illusory, being just water with any number of common compounds c

Octaazacubane is a hypothetical explosive allotrope of nitrogen with formula N8, whose molecules have eight atoms arranged into a cube. (By comparison, nitrogen usually occurs as the diatomic molecule N2.) It can be regarded as a cubane-type cluster, where all eight corners are nitrogen atoms bonded along the edges. It is predicted to be a metastable molecule, in which despite the thermodynamic instability caused by bond strain, and the high energy of the N–N single bonds, the molecule remains kinetically stable for reasons of orbital symmetry.

Pentazine is a hypothetical chemical compound that consists of a six-membered aromatic ring containing five nitrogen atoms with the molecular formula CHN5. The name pentazine is used in the nomenclature of derivatives of this compound.

Bromochlorofluoroiodomethane is a hypothetical haloalkane with all four stable halogen substituents present in it.

chemical compound

Cyclohexanehexone, also known as hexaketocyclohexane and triquinoyl, is an organic compound with formula , the sixfold ketone of cyclohexane. It is an oxide of carbon (an oxocarbon), a hexamer of carbon monoxide.

Borabenzene is a hypothetical organoboron compound with the formula C5H5B. Unlike the related but highly stable benzene molecule, borabenzene would be electron-deficient. Related derivatives are the boratabenzene anions, including the parent [C5H5BH]−.

Cyclobutyne (C4H4) is a hydrocarbon molecule containing a triple bond within a four carbon atom ring. This cycloalkyne is very unstable due to its high ring strain and has not been isolated in the pure state. However, osmium coordination complexes containing cyclobutyne have been synthesized.

1,2-Dioxin is a heterocyclic, organic, antiaromatic compound with the chemical formula CHO. It is an isomeric form of 1,4-dioxin (or p-dioxin).

The chemical compound 1,3-dioxetanedione, or 1,3-dioxacyclobutane-2,4-dione, also known as dicarbonic anhydride, is a hypothetical oxide of carbon with formula C2O4. It can be considered a cyclic dimer of carbon dioxide (CO2) or as a double ketone of 1,3-dioxetane (1,3-dioxacyclobutane).

allotrope of oxygen; hypothetical isomer of ozone

Boroles represent a class of molecules known as metalloles, which are heterocyclic 5-membered rings. As such, they can be viewed as structural analogs of cyclopentadiene, pyrrole or furan, with boron replacing a carbon, nitrogen and oxygen atom respectively. They are isoelectronic with the cyclopentadienyl cation or abbreviated as and comprise four π electrons. Although Hückel's rule cannot be strictly applied to borole, it is considered to be antiaromatic due to having 4 π electrons. As a result, boroles exhibit unique electronic properties not found in other metalloles.

Germabenzene (C5H6Ge) is the parent representative of a group of chemical compounds containing in their molecular structure a benzene ring with a carbon atom replaced by a germanium atom. Germabenzene itself has been studied theoretically, and synthesized with a bulky 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl or Tbt group. Also, stable naphthalene derivatives do exist in the laboratory such as the 2-germanaphthalene-containing substance represented below. The germanium to carbon bond in this compound is shielded from potential reactants by a Tbt group. This compound is aromatic just as the o

Cyclopentanepentone, also known as leuconic acid, is a hypothetical organic compound with formula C5O5, the fivefold ketone of cyclopentane. It would be an oxide of carbon (an oxocarbon), indeed a pentamer of carbon monoxide.

'Tetra-tert-butylmethane' is a hypothetical organic compound with formula C17H36, consisting of four tert-butyl groups bonded to a central carbon atom. It would be an alkane, specifically the most compact branched isomer of heptadecane.

chemical compound

chemical compound

Cyclobutanetetrone, also called tetraoxocyclobutane, is an organic compound with formula C4O4 or (CO)4, the fourfold ketone of cyclobutane. It would be an oxide of carbon, indeed a tetramer of carbon monoxide.

Stannabenzene (C5H6Sn) is the parent representative of a group of organotin compounds that are related to benzene with a carbon atom replaced by a tin atom. Stannabenzene itself has been studied by computational chemistry, but has not been isolated.

hydrocarbon compound in the shape of a Platonic polyhedron

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chemical compound

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In organic chemistry, tetraaminoethylene is a hypothetical, organic compound with formula or . Like all polyamines that are geminal, this compound has never been synthesised and is believed to be extremely unstable.

chemical compound (HgF₄)

chemical compound

chemical compound

Trinitrotriazine, or 2,4,6-trinitro-1,3,5-triazine, is a theoretical explosive compound. Synthesis of this compound has been elusive despite its simple structure, as conventional nitration of triazine becomes increasingly more difficult as more nitro groups are added. A successful route would more likely proceed by trimerisation of nitryl cyanide. The precursor nitryl cyanide was first synthesized by Rahm et al. in 2014.

chemical compound

Cyclopropatriene is a hypothetical compound () which is an allotrope of carbon. It was once proposed as a candidate for a spectroscopically observed tricarbon species. It is a cyclic cumulene.

Stibole is a heterocyclic organic compound, a five-membered ring with the formula C4H4SbH. It is classified as a metallole. It can be viewed as a structural analog of pyrrole, with antimony replacing the nitrogen atom of pyrrole. Stibole itself has not been isolated, but many substituted derivatives have been synthesized. They are called stiboles.

Tetranitratoxycarbon, systematic name 'tetra(nitrato-O,O,O-methyl)methane (often shortened to tetrakis(nitratoxycarbon)methane'),

1,2,4-Trioxane is one of the isomers of trioxane. It has the molecular formula CHO and consists of a six membered ring with three carbon atoms and three oxygen atoms. The two adjacent oxygen atoms form a peroxide functional group and the other forms an ether functional group. It is like a cyclic acetal but with one of the oxygen atoms in the acetal group being replaced by a peroxide group.

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chemical compound

chemical compound

Dihydroimidazol-2-ylidene is a hypothetical organic compound with formula C3H6N2. It would be a heterocyclic compound, formally derived from imidazolidine with two hydrogen atoms removed from carbon number 2, leaving two vacant chemical bonds — which makes it a carbene.

200px|thumb|Trioxane isomers:1,2,3-trioxane (left), 1,2,4-trioxane (middle), and 1,3,5-trioxane (right) Trioxane refers to any of three isomeric organic compounds composed of a six-membered ring with three carbon atoms and three oxygen atoms, having the molecular formula C3H6O3.

Hexaphenylethane is a hypothetical organic compound consisting of an ethane core with six phenyl substituents. , all attempts at its synthesis have been unsuccessful. The trityl free radical, Ph3C, was originally thought to dimerize to form hexaphenylethane. However, an inspection of the NMR spectrum of this dimer reveals that it is in fact a non-symmetrical species, Gomberg's dimer instead.

Bismole is a theoretical heterocyclic organic compound, a five-membered ring with the formula C4H4BiH. It is classified as a metallole. It can be viewed as a structural analog of pyrrole, with bismuth replacing the nitrogen atom of pyrrole. The unsubstituted compound has not been isolated due to the high energy of the Bi-H bond. Substituted derivatives, which have been synthesized, are called bismoles.

chemical compound

Compound of tellurium and oxygen

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chemical compound which existence is or was predicted, but its existence has not been confirmed

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hypothetical organic molecules of the form R–C(OH)3

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hypothetical isomer of benzene

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Zirconocene is a hypothetical compound with 14 valence electrons, which has not been observed or isolated. It is an organometallic compound consisting of two cyclopentadienyl rings bound on a central zirconium atom. A crucial question in research is what kind of ligands can be used to stabilize the Cp2ZrII metallocene fragment to make it available for further reactions in organic synthesis.