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

Structure

InChI Key RGPSRYWDFHAWOT-UHFFFAOYSA-N
Smiles CCCCCCCC[Mg]CCCC
InChI
InChI=1/C8H17.C4H9.Mg/c1-3-5-7-8-6-4-2;1-3-4-2;/h1,3-8H2,2H3;1,3-4H2,2H3;/rC12H26Mg/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H26Mg
Molecular Weight 194.19
AlogP 4.69
Number of Rotational Bond 10.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 69929-18-6
NORMAN SUSDAT