1,6-hexamethylene diisocyanate

Ligand id: 6291

Name: 1,6-hexamethylene diisocyanate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 58.86
Molecular weight 168.09
XLogP 4.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,6-Diisocyanatohexane
Synonyms
HDI | HMDI
Database Links
CAS Registry No. 822-06-0 (source: SciFinder)
ChEBI CHEBI:53578
ChEMBL Ligand CHEMBL1896533
PubChem CID 13192
Search Google for chemical match using the InChIKey RRAMGCGOFNQTLD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RRAMGCGOFNQTLD
Search UniChem for chemical match using the InChIKey RRAMGCGOFNQTLD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RRAMGCGOFNQTLD
Wikipedia Hexamethylene diisocyanate