Cyclopentanol

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

What is the Cyclopentanol?

The molecule Cyclopentanol presents a molecular formula of C5H10O and its IUPAC name is cyclopentanol.

Cyclopentanol is a clear, colorless liquid with a characteristic odor. It is insoluble in water but miscible with most organic solvents. Cyclopentanol is used as a solvent and as a starting material for the synthesis of other chemicals..

Cyclopentanol is produced by the catalytic hydrogenation of cyclopentanone. Cyclopentanol can also be prepared by the dehydration of 1-pentanol..

The main use of cyclopentanol is as a starting material in the synthesis of other chemicals. It is also used as a solvent for paints, varnishes, and lacquers..

Cyclopentanol is a flammable liquid and should be stored in a cool, dry, well-ventilated area away from heat or open flames..

3D structure

Cartesian coordinates

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

2D drawing

 

Cyclopentanol XCIXKGXIYUWCLL-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Cyclopentanol

 

Molecule descriptors

 
IUPAC namecyclopentanol
InChI codeInChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChI KeyXCIXKGXIYUWCLL-UHFFFAOYSA-N
SMILESOC1CCCC1

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 namecyclopentanol
Molecular formulaC5H10O
Molecular weight86.1323
Melting point (ºC)-19
Boiling point (ºC)139
Density (g/cm3)0.950
Molar refractivity25.20
LogP0.9
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.