Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30935018

Structure

InChI Key SIZKKURETCQUKI-UHFFFAOYSA-N
Smiles OC1CCC2OC1CCC2O
InChI
InChI=1/C8H14O3/c9-5-1-3-7-6(10)2-4-8(5)11-7/h5-10H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O3
Molecular Weight 158.09
AlogP 0.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 49.69
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 15458-61-4
NORMAN SUSDAT
PubChem 85852