Molecule ID: 129626657

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

Description: The molecule is an octadecanoid that is 12,13-epoxy-(9Z)-octadecenoic acid carrying an additional hydroxy substituent at position 18. It is an omega-hydroxy fatty acid, an epoxy fatty acid and an octadecanoid. It derives from a linoleic acid. It is a conjugate acid of a 12,13-epoxy-18-hydroxy-(9Z)-octadecenoate.

SMILES: O=C(O)CCCCCCC/C=C\CC1OC1CCCCCO

SELFIES: [O][=C][Branch1][C][O][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)/b8-5-

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 4.0