Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID901006438

Structure

InChI Key JABDUNXUMGVHJU-UHFFFAOYSA-N
Smiles OC1CCCCCC(O)C1O
InChI
InChI=1/C8H16O3/c9-6-4-2-1-3-5-7(10)8(6)11/h6-11H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O3
Molecular Weight 160.11
AlogP 0.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 60.69
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 85866-03-1
NORMAN SUSDAT
PubChem 3020996