Molecule ID: 25245732

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

Description: The molecule is an omega-hydroxy fatty acid anion that is the conjugate base of 18-hydroxy-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It derives from an octadecanoate. It is a conjugate base of a 9,10-epoxy-18-hydroxyoctadecanoic acid.

SMILES: O=C([O-])CCCCCCCC1OC1CCCCCCCCO

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1

Molecular Properties:
- Polar Surface Area: 72.9 Ų
- LogP: 5.2