Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z10Q236C3G
EPA CompTox DTXSID4051904

Structure

InChI Key DYHSDKLCOJIUFX-UHFFFAOYSA-N
Smiles O=C(OC(=O)OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O5
Molecular Weight 218.12
AlogP 2.87
Hydrogen Bond Acceptor 5.0
Polar Surface Area 61.83
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 24424-99-5
NORMAN SUSDAT
FDA SRS Z10Q236C3G
PubChem 90495
ChemSpider 81704.0