Molecule ID: 69409

IUPAC Name: 3-acetyloxypropyl acetate

Description: The molecule is an acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid. It has a role as a metabolite. It is a diester and an acetate ester. It derives from a propane-1,3-diol.

SMILES: CC(=O)OCCCOC(C)=O

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

InChI: InChI=1S/C7H12O4/c1-6(8)10-4-3-5-11-7(2)9/h3-5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 0.4