Structure

InChI Key ZQWPRMPSCMSAJU-UHFFFAOYSA-N
Smiles COC(=O)C1CCCCC1
InChI
InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O2
Molecular Weight 142.1
AlogP 1.74
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4630-82-4
NORMAN SUSDAT
FDA SRS 96144H696Q
PubChem 20748
ChemSpider 19536.0