Molecule ID: 9818312

IUPAC Name: 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid

Description: The molecule is an epoxy fatty acid that is 9,10-epoxyoctadecanoic acid (9,10-epoxystearic acid) carrying an additional hydroxy substituent at position 18. It has a role as a plant metabolite. It is an epoxy fatty acid, an omega-hydroxy fatty acid and a hydroxyoctadecanoic acid. It derives from a 9,10-epoxyoctadecanoic acid. It is a conjugate acid of a 9,10-epoxy-18-hydroxyoctadecanoate.

SMILES: O=C(O)CCCCCCCC1OC1CCCCCCCCO

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

InChI: InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 4.5