citral

Ligand id: 6327

Name: citral

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 17.07
Molecular weight 152.12
XLogP 2.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2E)-3,7-dimethylocta-2,6-dienal
Synonyms
citral a
geranial
geranialdehyde
trans-citral
Database Links
CAS Registry No. 5392-40-5 (source: SciFinder)
ChEMBL Ligand CHEMBL1080997
PubChem CID 638011
Search Google for chemical match using the InChIKey WTEVQBCEXWBHNA-JXMROGBWSA-N
Search Google for chemicals with the same backbone WTEVQBCEXWBHNA
Wikipedia Citral