Molecule ID: 7921

IUPAC Name: 5-methyloxolan-2-one

Description: The molecule is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane. It has a role as a flavouring agent and a human xenobiotic metabolite.

SMILES: CC1CCC(=O)O1

SELFIES: [C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]

InChI: InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 0.6