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

Structure

InChI Key KDQHJGWPOQNCMI-UHFFFAOYSA-N
Smiles CCCC[Pb](CCCC)(CCCC)CCCC
InChI
InChI=1/4C4H9.Pb/c4*1-3-4-2;/h4*1,3-4H2,2H3;/rC16H36Pb/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H36Pb
Molecular Weight 436.26
AlogP 6.64
Number of Rotational Bond 12.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 1920-90-7
NORMAN SUSDAT