Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90909472

Structure

InChI Key ZHYIHFOUPHFJDM-UHFFFAOYSA-N
Smiles O(CC1OC1)CC2OC(OC2)(C)CC
InChI
InChI=1/C10H18O4/c1-3-10(2)13-7-9(14-10)5-11-4-8-6-12-8/h8-9H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O4
Molecular Weight 202.12
AlogP 0.94
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 40.22
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 10537-73-2
NORMAN SUSDAT
PubChem 114375