Molecule ID: 5283011

IUPAC Name: (10E,12E)-9-oxooctadeca-10,12-dienoic acid

Description: The molecule is an oxooctadecadienoic acid that consists of 10E,12E-octadecadienoic acid with the oxo substituent located at position 9. It has a role as a metabolite. It is an oxooctadecadienoic acid and an enone.

SMILES: CCCCC/C=C/C=C/C(=O)CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 5.2