Molecule ID: 86031027

IUPAC Name: 8-[3-(7-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 17. It is an epoxy fatty acid, a hydroxyoctadecanoic acid and an (omega-1)-hydroxy fatty acid. It derives from a 9,10-epoxyoctadecanoic acid. It is a conjugate acid of a 9,10-epoxy-17-hydroxyoctadecanoate.

SMILES: CC(O)CCCCCCC1OC1CCCCCCCC(=O)O

SELFIES: [C][C][Branch1][C][O][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/C18H34O4/c1-15(19)11-7-5-6-9-13-17-16(22-17)12-8-3-2-4-10-14-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 4.4