Molecule ID: 5365947

IUPAC Name: (E)-2,3,4-trimethylhex-3-enal

Description: The molecule is a hexenal that is (3E)-hex-3-enal substituted by methyl groups at positions 2, 3 and 6. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

SMILES: CC/C(C)=C(\C)C(C)C=O

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

InChI: InChI=1S/C9H16O/c1-5-7(2)9(4)8(3)6-10/h6,8H,5H2,1-4H3/b9-7+

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 3.0