Molecule ID: 14228

IUPAC Name: hexyl octanoate

Description: The molecule is an octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol. It has a role as a plant metabolite. It derives from a hexan-1-ol.

SMILES: CCCCCCCC(=O)OCCCCCC

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

InChI: InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 5.3