Molecule ID: 160205

IUPAC Name: 13-oxooctadeca-9,11-dienoic acid

Description: The molecule is an oxooctadecadienoic acid that is 9,11-octadecadienoic acid in which the oxo group is located at position 13. It is an enone and an oxooctadecadienoic acid.

SMILES: CCCCCC(=O)C=CC=CCCCCCCCC(=O)O

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

InChI: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)

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