Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50199170

Structure

InChI Key LRLMEXPRIMROMY-UHFFFAOYSA-N
Smiles O=CCCCCCCCCCC=C
InChI
InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,12H,1,3-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O
Molecular Weight 182.17
AlogP 3.88
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 51148-68-6
NORMAN SUSDAT
PubChem 3016614