2-Iodo-2-Methylpropane

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for 2-Iodo-2-Methylpropane are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the 2-Iodo-2-Methylpropane?

The molecule 2-Iodo-2-Methylpropane presents a molecular formula of C4H9I2 and its IUPAC name is 2-iodo-2-methylpropane.

2-Iodo-2-methylpropane is a molecule composed of two carbon atoms, four hydrogen atoms, and one iodine atom. This molecule lies as a haloalkane, which is a type of molecule that contains one or more halogen atoms bonded to a carbon atom. Haloalkanes are used in a variety of industrial and commercial applications, including as solvents, cleaners, and degreasers..

2-Iodo-2-methylpropane is a colorless liquid at room temperature and has a boiling point of 87.6 degrees Celsius. This molecule has a molecular weight of 184.97 grams per mole and a density of 1.14 grams per cubic centimeter. 2-Iodo-2-methylpropane is soluble in water and is flammable..

This molecule is used as a solvent in the production of paints, varnishes, and lacquers. It is also used as a cleaning agent and degreaser. 2-Iodo-2-methylpropane is an irritant to the skin, eyes, and respiratory system. Prolonged exposure to this molecule can cause liver and kidney damage..

3D structure

Cartesian coordinates

Geometry of 2-Iodo-2-Methylpropane in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

2-Iodo-2-Methylpropane YMSJRPIQIZNRLD-UHFFFAOYSA-N chemical compound 2D structure molecule svg
2-Iodo-2-Methylpropane

 

Molecule descriptors

 
IUPAC name2-iodo-2-methylpropane
InChI codeInChI=1S/C8H16/c1-5-6-8(4)7(2)3/h7H,4-6H2,1-3H3
InChI KeyYMSJRPIQIZNRLD-UHFFFAOYSA-N
SMILES[C](I)(I)(C)(C)C

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC name2-iodo-2-methylpropane
Molecular formulaC4H9I2
Molecular weight310.923
Melting point (ºC)-38
Boiling point (ºC)100
Density (g/cm3)1.544
Molar refractivity48.88
LogP3.4
Topological polar surface area-

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.