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2,2-dimethylbutane
Sign in to saveAlso known as neohexane
2,2-Dimethylbutane, trivially known as neohexane at William Odling's 1876 suggestion, is an organic compound with formula C6H14 or (H3C-)3-C-CH2-CH3. It is therefore an alkane, indeed the most compact and branched of the hexane isomers — the only one with a quaternary carbon and a butane (C4) backbone.
Chemical data
- Formula
- C6H14
- Molecular weight
- 86.18 g/mol
- IUPAC name
- 2,2-dimethylbutane
- SMILES
- CCC(C)(C)C
- InChIKey
- HNRMPXKDFBEGFZ-UHFFFAOYSA-N
- XLogP
- 3
- Polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 0
- Formal charge
- 0
via PubChem
Wikidata facts
- Has part
- carbon
- Mass
- 86.11
Show 10 more facts
- melting point
- -245
- ionization energy
- 10.06
- chemical formula
- C₆H₁₄
- canonical SMILES
- CCC(C)(C)C
- boiling point
- 49.73
- NIOSH Pocket Guide ID
- 0323
- flash point
- -54
- time-weighted average exposure limit
- 350
- ceiling exposure limit
- 1800
- Commons category
- 2,2-Dimethylbutane
Sources (3)
via Wikidata · CC0
~2 min read
Encyclopedic overview
4 sectionsContents
- Synthesis
- Uses
- See also
- References
2,2-Dimethylbutane, trivially known as neohexane at William Odling's 1876 suggestion, is an organic compound with formula C6H14 or (H3C-)3-C-CH2-CH3. It is therefore an alkane, indeed the most compact and branched of the hexane isomers — the only one with a quaternary carbon and a butane (C4) backbone.
== Synthesis == Butlerov's student V. Goryainov originally discovered neohexane in 1872 by cross-coupling of zinc ethyl with tert-butyl iodide.
Excerpted from Wikipedia’s “2,2-dimethylbutane” article, available under the CC BY-SA 4.0 licence.