Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10177636

Structure

InChI Key DDPMQWOBGOWNKA-UHFFFAOYSA-N
Smiles COC(CCCO)OC
InChI
InChI=1S/C6H14O3/c1-8-6(9-2)4-3-5-7/h6-7H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14O3
Molecular Weight 134.09
AlogP 0.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.69
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 23068-87-3
NORMAN SUSDAT
PubChem 89988
ChemSpider 81235.0