Molecule ID: 5352481

IUPAC Name: (E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one

Description: The molecule is an apo carotenoid monoterpenoid that is beta-ionone substituted by an epoxy group across positions 5 and 6. It has a role as a metabolite. It is an apo carotenoid monoterpenoid and an epoxide. It derives from a beta-ionone.

SMILES: CC(=O)/C=C/C12OC1(C)CCCC2(C)C

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

InChI: InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+

Molecular Properties:
- Polar Surface Area: 29.6 Ų
- LogP: 2.0