Molecule ID: 10236635

IUPAC Name: (Z)-12,13-dihydroxyoctadec-9-enoic acid

Description: The molecule is a DiHOME obtained by formal dihydroxylation of the 12,13-double bond of octadeca-9,12-dienoic acid (the 9Z-geoisomer). It is a conjugate acid of a 12,13-DiHOME(1-).

SMILES: CCCCCC(O)C(O)C/C=C\CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.6