Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20999760

Structure

InChI Key CYTKGVLSBVTIQY-UHFFFAOYSA-N
Smiles OC1CCCCC(O)C(O)C1O
InChI
InChI=1/C8H16O4/c9-5-3-1-2-4-6(10)8(12)7(5)11/h5-12H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O4
Molecular Weight 176.1
AlogP -1.0
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Polar Surface Area 80.92
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 78430-43-0
NORMAN SUSDAT
PubChem 3018772