octanoic acid

Ligand id: 4585

Name: octanoic acid

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 144.12
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
octanoic acid
International Nonproprietary Names
INN number INN
5433 octanoic acid
Synonyms
C8  | C8:0 | caprylic acid
Database Links
CAS Registry No. 124-07-2 (source: Scifinder)
ChEBI CHEBI:28837
ChEMBL Ligand CHEMBL324846
PubChem CID 379
RCSB PDB Ligand OCA
Search Google for chemical match using the InChIKey WWZKQHOCKIZLMA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WWZKQHOCKIZLMA
Search PubMed clinical trials octanoic acid
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Search UniChem for chemical match using the InChIKey WWZKQHOCKIZLMA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WWZKQHOCKIZLMA
Wikipedia Octanoic_acid