Molecule ID: 21889155

IUPAC Name: (E)-hexadec-9-enoate

Description: The molecule is a long-chain unsaturated fatty acid anion that is the conjugate base of hexadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion, an unsaturated fatty acid anion and a hexadecenoate. It is a conjugate base of a hexadec-9-enoic acid.

SMILES: CCCCCC/C=C/CCCCCCCC(=O)[O-]

SELFIES: [C][C][C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/p-1/b8-7+

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 6.8