Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DHT5VZP5ZF
EPA CompTox DTXSID20195886

Structure

InChI Key RKFNAZGRJVNWEW-UHFFFAOYSA-N
Smiles O=CCCC1CCCCC1
InChI
InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h8-9H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16O1
Molecular Weight 140.12
AlogP 2.55
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4361-28-8
NORMAN SUSDAT
FDA SRS DHT5VZP5ZF
PubChem 78070
ChemSpider 70448.0