oxepin
Also known as oxepine, oxacycloheptatriene
Oxepine is an oxygen-containing heterocycle consisting of a seven-membered ring with three double bonds. The parent C6H6O exists as an equilibrium mixture with benzene oxide. center|200px
Chemical data
- Formula
- C6H6O
- Molecular weight
- 94.11 g/mol
- IUPAC name
- oxepine
- SMILES
- C1=CC=COC=C1
- InChIKey
- ATYBXHSAIOKLMG-UHFFFAOYSA-N
- XLogP
- 1.7
- Polar surface area
- 9.2 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
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Article
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Oxepine is an oxygen-containing heterocycle consisting of a seven-membered ring with three double bonds. The parent C6H6O exists as an equilibrium mixture with benzene oxide. center|200px
The oxepin–benzene oxide equilibrium is affected by the ring substituents. A related dimethyl derivative exists mainly as the oxepine isomer, an orange liquid.