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

Structure

InChI Key ODHFJIDDBSDWNU-UHFFFAOYSA-N
Smiles CCCC[Mg]CCCC
InChI
InChI=1/2C4H9.Mg/c2*1-3-4-2;/h2*1,3-4H2,2H3;/rC8H18Mg/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18Mg
Molecular Weight 138.13
AlogP 3.13
Number of Rotational Bond 6.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1191-47-5
NORMAN SUSDAT