Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GDT3TXT9FW
EPA CompTox DTXSID20219157

Structure

InChI Key CIYGMWIAXRMHQS-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O4
Molecular Weight 202.12
AlogP 1.67
Hydrogen Bond Acceptor 4.0
Polar Surface Area 52.6
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 691-64-5
NORMAN SUSDAT
FDA SRS GDT3TXT9FW
PubChem 69651
ChemSpider 62852.0