Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40917229

Structure

InChI Key MHQJXBOSOJIRBZ-UHFFFAOYSA-N
Smiles O(C)C1OC(OC)C(CC)C1
InChI
InChI=1/C8H16O3/c1-4-6-5-7(9-2)11-8(6)10-3/h6-8H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O3
Molecular Weight 160.11
AlogP 1.38
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 27.69
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 93904-51-9
NORMAN SUSDAT
PubChem 3022858