Molecule ID: 5281024

IUPAC Name: (Z)-octadec-9-en-12-ynoic acid

Description: The molecule is an octadecenynoic acid having a cis-double bond at C-9 and a triple bond at position 12. It is a conjugate acid of a crepenynate.

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

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

InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.3