crotylaldehyde

Ligand id: 6288

Name: crotylaldehyde

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 70.04
XLogP 0.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-but-2-enal
Synonyms
2-butenal | crotonal | trans-crotonaldehyde
Database Links
CAS Registry No. 4170-30-3 (source: SciFinder)
ChEMBL Ligand CHEMBL1086445
GtoPdb PubChem SID 178102908
PubChem CID 447466
RCSB PDB Ligand CRD
Search Google for chemical match using the InChIKey MLUCVPSAIODCQM-NSCUHMNNSA-N
Search Google for chemicals with the same backbone MLUCVPSAIODCQM
Search UniChem for chemical match using the InChIKey MLUCVPSAIODCQM-NSCUHMNNSA-N
Search UniChem for chemicals with the same backbone MLUCVPSAIODCQM
Wikipedia Crotonaldehyde