Molecule ID: 454

IUPAC Name: octanal

Description: The molecule is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.

SMILES: CCCCCCCC=O

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

InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.7