Molecule ID: 5283316

IUPAC Name: (E)-hept-2-enal

Description: The molecule is a monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax. It has a role as a plant metabolite and a uremic toxin. It is an enal, a monounsaturated fatty aldehyde and a medium-chain fatty aldehyde.

SMILES: CCCC/C=C/C=O

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

InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 2.1