Molecule ID: 5282743

IUPAC Name: (E)-hexadec-2-enoic acid

Description: The molecule is a hexadecenoic acid having a trans-double bond at the 2-position. It has a role as a metabolite. It is a hexadecenoic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of an (E)-hexadec-2-enoate.

SMILES: CCCCCCCCCCCCC/C=C/C(=O)O

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

InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 7.0