Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AR294KAG3T

Structure

InChI Key LEEDMQGKBNGPDN-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C20H42/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h20H,4-19H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H42
Molecular Weight 282.33
AlogP 7.9
Number of Rotational Bond 16.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 52845-07-5
NORMAN SUSDAT
FDA SRS AR294KAG3T
PubChem 137081
ChemSpider 120790.0