Molecule ID: 129626653

IUPAC Name: 8-[3-[(Z)-8-hydroxyoct-2-enyl]oxiran-2-yl]octanoate

Description: The molecule is an octadecanoid anion that is the conjugate base of 9,10-epoxy-18-hydroxy-(12Z)-octadecenoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an omega-hydroxy fatty acid anion and an octadecanoid anion. It derives from a 9(10)-EpOME(1-). It is a conjugate base of a 9,10-epoxy-18-hydroxy-(12Z)-octadecenoic acid.

SMILES: O=C([O-])CCCCCCCC1OC1C/C=C\CCCCCO

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/C18H32O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h4,8,16-17,19H,1-3,5-7,9-15H2,(H,20,21)/p-1/b8-4-

Molecular Properties:
- Polar Surface Area: 72.9 Ų
- LogP: 4.6