Molecule ID: 6184

IUPAC Name: hexanal

Description: The molecule is a saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde. It has a role as a human urinary metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde. It derives from a hydride of a hexane.

SMILES: CCCCCC=O

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

InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.8