Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 26HZV48DT1
EPA CompTox DTXSID70870919

Structure

InChI Key XOJVVFBFDXDTEG-UHFFFAOYSA-N
Smiles CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H40
Molecular Weight 268.31
AlogP 7.08
Number of Rotational Bond 12.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 1921-70-6
NORMAN SUSDAT
FDA SRS 26HZV48DT1
PubChem 15979
ChemSpider 15182.0