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

Structure

InChI Key USJZIJNMRRNDPO-UHFFFAOYSA-N
Smiles CCCCCCCCCC[Al](CCCCCCCCCC)CCCCCCCCCC
InChI
InChI=1/3C10H21.Al/c3*1-3-5-7-9-10-8-6-4-2;/h3*1,3-10H2,2H3;/rC30H63Al/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H63Al
Molecular Weight 450.47
AlogP 11.9
Number of Rotational Bond 27.0
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 1726-66-5
NORMAN SUSDAT