Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8069224

Structure

InChI Key RJODNIAWMUBVRK-UHFFFAOYSA-N
Smiles COCCCCC1CCCCC1
InChI
InChI=1S/C11H22O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h11H,2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O1
Molecular Weight 170.17
AlogP 3.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 58070-68-1
NORMAN SUSDAT
PubChem 93934
ChemSpider 84780.0