Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9064972

Structure

InChI Key AYMDJPGTQFHDSA-UHFFFAOYSA-N
Smiles CCOCCOCCOC=C
InChI
InChI=1S/C8H16O3/c1-3-9-5-7-11-8-6-10-4-2/h3H,1,4-8H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O3
Molecular Weight 160.11
AlogP 1.2
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 27.69
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 10143-53-0
NORMAN SUSDAT
PubChem 25008
ChemSpider 23376.0