Molecule ID: 91508

IUPAC Name: 2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Description: The molecule is an epoxide of alpha-pinene. It has a role as a fragrance, a bacterial xenobiotic metabolite and a human metabolite. It is a pinane monoterpenoid and an epoxide. It derives from a hydride of an alpha-pinene.

SMILES: CC1(C)C2CC3OC3(C)C1C2

SELFIES: [C][C][Branch1][C][C][C][C][C][O][C][Ring1][Ring1][Branch1][C][C][C][Ring1][=Branch2][C][Ring1][Branch2]

InChI: InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 12.5 Ų
- LogP: 2.1