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

Structure

InChI Key QRQUTSPLBBZERR-UHFFFAOYSA-M
Smiles CCCCCCCC[Al](Cl)CCCCCCCC
InChI
InChI=1/2C8H17.Al.ClH/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;1H/q;;+1;/p-1/rC16H34AlCl/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H34AlCl
Molecular Weight 288.22
AlogP 6.94
Number of Rotational Bond 14.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 7325-26-0
NORMAN SUSDAT