Molecule ID: 13163

IUPAC Name: diethyl pentanedioate

Description: The molecule is a diester obtained by the formal condensation of carboxy groups of glutaric acid with two molecules of ethanol respectively. It has a role as a metabolite. It derives from a glutaric acid.

SMILES: CCOC(=O)CCCC(=O)OCC

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

InChI: InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 1.0