Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key QGOZUGDFQXKWJX-ARJAWSKDSA-N
Smiles OCCOCCC=CCC
InChI
InChI=1/C8H16O2/c1-2-3-4-5-7-10-8-6-9/h3-4,9H,2,5-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O2
Molecular Weight 144.12
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 29.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 94088-27-4
NORMAN SUSDAT
PubChem 20836310