Molecule ID: 5358363

IUPAC Name: ethyl (E)-hept-2-enoate

Description: The molecule is the fatty acid ethyl ester of 2-heptenoic acid. It has a role as a metabolite. It derives from a 2-heptenoic acid.

SMILES: CCCC/C=C/C(=O)OCC

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

InChI: InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h7-8H,3-6H2,1-2H3/b8-7+

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.8