Molecule ID: 9949088

IUPAC Name: propyl (9Z,12Z)-octadeca-9,12-dienoate

Description: The molecule is a fatty acid ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of propanol. It has a role as a bacterial metabolite. It derives from a linoleic acid.

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

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

InChI: InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h8-9,11-12H,3-7,10,13-20H2,1-2H3/b9-8-,12-11-

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 7.8