hydroxycitronellal

Ligand id: 2468

Name: hydroxycitronellal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.3
Molecular weight 172.15
XLogP 2.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-HYDROXY-3,7-DIMETHYLOCTANAL
Database Links
CAS Registry No. 107-75-5 (source: NCI)
ChEBI CHEBI:53459
ChEMBL Ligand CHEMBL3186027
PubChem CID 7888
Search Google for chemical match using the InChIKey WPFVBOQKRVRMJB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WPFVBOQKRVRMJB
Search UniChem for chemical match using the InChIKey WPFVBOQKRVRMJB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WPFVBOQKRVRMJB