Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80997888

Structure

InChI Key CBFKVFFWFXUWDK-UHFFFAOYSA-N
Smiles O=C(OC)C(C)C(OC)OC
InChI
InChI=1/C7H14O4/c1-5(6(8)9-2)7(10-3)11-4/h5,7H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14O4
Molecular Weight 162.09
AlogP 0.41
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 44.76
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 76526-43-7
NORMAN SUSDAT
PubChem 3018662