3,4,5-Trimethylheptane

3,4,5-Trimethylheptane is a branched alkane with the molecular formula C10H22. It is a hydrocarbon consisting of a heptane backbone with three methyl groups attached at the 3rd, 4th, and 5th positions. This compound is part of the larger family of alkanes, which are saturated hydrocarbons containing only single bonds between carbon atoms. 3,4,5-Trimethylheptane is a colorless liquid with a molecular weight of 142.29, a melting point of -53.99 degrees Celsius, a boiling point of 162.51 degrees Celsius, a density of 0.7520, and a refractive index of 1.4206. Its upstream raw material is 3,4-dimethyl-4-chlorohexane-2-one.

The synthesis of 3,4,5-Trimethylheptane can be achieved through various organic synthesis methods. One common approach involves the alkylation of heptane with methyl groups. This can be done using Friedel-Crafts alkylation, where heptane reacts with methyl chloride in the presence of a Lewis acid catalyst such as aluminum chloride (AlCl3). 3,4,5-Trimethylheptane can be used in chemistry, biology, medicine, and industry. In chemistry, it is used as a reference compound in gas chromatography and mass spectrometry due to its well-defined structure and properties. In biology, its interaction with biological membranes and its effects on lipid bilayers are studied. In medicine, 3,4,5-Trimethylheptan can be studied for its potential use in drug delivery systems and as a solvent for hydrophobic drugs. In industry, 3,4,5-Trimethylheptan is used to produce specialty chemicals and as a component of high-octane fuels.

Molecular Weight:142.28
XLogP3:4.8
Rotatable Bond Count:4
Exact Mass:142.172150702
Monoisotopic Mass:142.172150702
Heavy Atom Count:10
Complexity:66.1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes