Molecule ID: 5282714

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

Description: The molecule is an olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer). It has a role as an animal metabolite. It is a medium-chain fatty acid, a monounsaturated fatty acid, a straight-chain fatty acid and an olefinic fatty acid. It is a conjugate acid of a (2E)-oct-2-enoate.

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

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

InChI: InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.7