Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00864285

Structure

InChI Key NMFWOBQDDWFAAB-UHFFFAOYSA-N
Smiles O=COC1CCC2CCCCC2C1
InChI
InChI=1S/C11H18O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h8-11H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18O2
Molecular Weight 182.13
AlogP 2.52
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 10519-12-7
NORMAN SUSDAT
PubChem 25325
ChemSpider 23655.0