Molecule ID: 129626656

IUPAC Name: (Z)-11-[3-(5-hydroxypentyl)oxiran-2-yl]undec-9-enoate

Description: The molecule is an octadecanoid anion that is the conjugate base of 18-hydroxy-12,13-epoxy-(9Z)-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 vernolate. It is a conjugate base of a 12,13-epoxy-18-hydroxy-(9Z)-octadecenoic acid.

SMILES: O=C([O-])CCCCCCC/C=C\CC1OC1CCCCCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][C][C][C][C][/C][=C][\C][C][O][C][Ring1][Ring1][C][C][C][C][C][O]

InChI: InChI=1S/C18H32O4/c19-15-11-7-9-13-17-16(22-17)12-8-5-3-1-2-4-6-10-14-18(20)21/h5,8,16-17,19H,1-4,6-7,9-15H2,(H,20,21)/p-1/b8-5-

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