Molecule ID: 1550470

IUPAC Name: ethyl (2E,4E)-hexa-2,4-dienoate

Description: The molecule is a fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol. It has a role as a metabolite. It derives from a sorbic acid.

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

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

InChI: InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 1.9