Molecule ID: 12810

IUPAC Name: 6-pentyloxan-2-one

Description: The molecule is a delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. It has a role as a metabolite. It derives from a 5-valerolactone.

SMILES: CCCCCC1CCCC(=O)O1

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

InChI: InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.5