Structure

InChI Key KDGNCLDCOVTOCS-UHFFFAOYSA-N
Smiles O=C(OOC(C)(C)C)OC(C)C
InChI
InChI=1/C8H16O4/c1-6(2)10-7(9)11-12-8(3,4)5/h6H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O4
Molecular Weight 176.1
AlogP 2.28
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 44.76
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2372-21-6
NORMAN SUSDAT
FDA SRS 65CY7NX9N8
PubChem 75406