Molecule ID: 15868

IUPAC Name: 8-(3-octyloxiran-2-yl)octanoic acid

Description: The molecule is an epoxy fatty acid consisting of octadecanoic (stearic) acid with a single epoxide located between positions 9 and 10. It has a role as a human metabolite. It is a conjugate acid of a 9,10-epoxyoctadecanoate.

SMILES: CCCCCCCCC1OC1CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 6.1