Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10942947

Structure

InChI Key LCQZTTHYFOMGKL-UHFFFAOYSA-N
Smiles O1CCOC(OC)C1
InChI
InChI=1/C5H10O3/c1-6-5-4-7-2-3-8-5/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O3
Molecular Weight 118.06
AlogP 0.01
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 27.69
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 20732-36-9
NORMAN SUSDAT
PubChem 89378