Molecule ID: 8130

IUPAC Name: heptanal

Description: The molecule is an n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. It has a role as a biomarker. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.

SMILES: CCCCCCC=O

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

InChI: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.3