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

Structure

InChI Key VJRUISVXILMZSL-UHFFFAOYSA-M
Smiles CCCC[Al](Cl)CCCC
InChI
InChI=1/2C4H9.Al.ClH/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;1H/q;;+1;/p-1/rC8H18AlCl/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18AlCl
Molecular Weight 176.09
AlogP 3.82
Number of Rotational Bond 6.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3537-86-8
NORMAN SUSDAT