cycloheptanone

Also known as suberone

Cycloheptanone, (CH2)6CO, is a cyclic ketone also referred to as suberone. It is a colourless volatile liquid. Cycloheptanone is used as a precursor for the synthesis of pharmaceuticals.

Chemical data

Formula: C7H12O
Molecular weight: 112.17 g/mol
IUPAC name: cycloheptanone
SMILES: C1CCCC(=O)CC1
InChIKey: CGZZMOTZOONQIA-UHFFFAOYSA-N
XLogP: 1.4
Polar surface area: 17.1 Å²
H-bond donors: 0
H-bond acceptors: 1
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Subclass of: chemical compound
Has part: carbon
Mass: 112.089

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chemical formula: C₇H₁₂O
canonical SMILES: C1CCCC(=O)CC1
safety classification and labelling: Regulation (EC) No. 1272/2008
melting point: -21.0
found in taxon: Gossypium hirsutum
Commons category: Cycloheptanone

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Encyclopedic overview

3 sections

Contents

Synthesis
Uses and reactions
References

Cycloheptanone, (CH2)6CO, is a cyclic ketone also referred to as suberone. It is a colourless volatile liquid. Cycloheptanone is used as a precursor for the synthesis of pharmaceuticals.

== Synthesis == In 1836, French chemist Jean-Baptiste Boussingault first synthesized cycloheptanone from the calcium salt of dibasic suberic acid. The ketonization of calcium suberate yields calcium carbonate and suberone: Ca(O2C(CH2)6CO2) → CaCO3 + (CH2)6CO

Excerpted from Wikipedia’s “cycloheptanone” article, available under the CC BY-SA 4.0 licence.