Molecule ID: 86289811

IUPAC Name: (E)-21-hydroxyhenicos-2-enoic acid

Description: The molecule is an omega-hydroxy fatty acid that is 21-hydroxyhenicosanoic acid that has been dehydrogenated to introduce a trans double bond at the 2-3 position. It is an omega-hydroxy fatty acid, an alpha,beta-unsaturated monocarboxylic acid, a long-chain fatty acid, a straight-chain fatty acid and a hydroxy monounsaturated fatty acid.

SMILES: O=C(O)/C=C/CCCCCCCCCCCCCCCCCCO

SELFIES: [O][=C][Branch1][C][O][/C][=C][/C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]

InChI: InChI=1S/C21H40O3/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h17,19,22H,1-16,18,20H2,(H,23,24)/b19-17+

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 8.1