Molecule ID: 6445537

IUPAC Name: (E)-4-oxonon-2-enal

Description: The molecule is the enal that is (E)-non-2-enal substituted with an oxo group at C-4. It has a role as a human metabolite. It is an enal and an enone.

SMILES: CCCCCC(=O)/C=C/C=O

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

InChI: InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 1.6