2-hydroxyoctanoic acid

Ligand id: 5796

Name: 2-hydroxyoctanoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 57.53
Molecular weight 160.11
XLogP 2.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-Hydroxyoctanoic acid
Database Links
CAS Registry No. 617-73-2
Human Metabolome Database HMDB00711
PubChem CID 94180
Search Google for chemical match using the InChIKey JKRDADVRIYVCCY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JKRDADVRIYVCCY