citronellal

Ligand id: 6300

Name: citronellal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 17.07
Molecular weight 154.14
XLogP 3.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,7-dimethyloct-6-enal
Synonyms
3,7-dimethyl-6-octenal | rhodinal
Database Links
CAS Registry No. 106-23-0 (source: Scifinder)
ChEBI CHEBI:47856
PubChem CID 7794
Search Google for chemical match using the InChIKey NEHNMFOYXAPHSD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NEHNMFOYXAPHSD
Search UniChem for chemical match using the InChIKey NEHNMFOYXAPHSD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NEHNMFOYXAPHSD
Wikipedia Citronellal
Comments
Citronellal is a plant monoterpenoid, responsible for the lemon scent of citronella oil.