Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6064616

Structure

InChI Key JPEWDCTZJFUITH-UHFFFAOYSA-N
Smiles CCCCCCCCCCOC
InChI
InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H24O1
Molecular Weight 172.18
AlogP 3.77
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 68989-91-3
NORMAN SUSDAT
PubChem 23716
ChemSpider 22176.0