Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50240257

Structure

InChI Key OLMWBJRNJLFQDE-UHFFFAOYSA-N
Smiles CC(C)(C)C1CCC2(CC1)OCCCCO2
InChI
InChI=1S/C14H26O2/c1-13(2,3)12-6-8-14(9-7-12)15-10-4-5-11-16-14/h12H,4-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26O2
Molecular Weight 226.19
AlogP 3.75
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 94022-05-6
NORMAN SUSDAT
PubChem 44146805
ChemSpider 21166487.0