Structure

InChI Key ZOIRKXLFEHOVER-UHFFFAOYSA-N
Smiles CC(C)CC(=O)OC(C)C
InChI
InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O2
Molecular Weight 144.12
AlogP 1.98
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 32665-23-9
NORMAN SUSDAT
FDA SRS 7EVG31L4J8
PubChem 61914
ChemSpider 55775.0