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

What is the cis-2-Pentene?

The molecule cis-2-Pentene presents a molecular formula of C5H10 and its IUPAC name is cis-2-pentene.

Cis-2-Pentene is a hydrocarbon with the molecular formula C5H10. It is a colourless liquid with a sweet, petroleum-like odor. It is insoluble in water but soluble in most organic solvents..

Cis-2-Pentene is used as a starting material for the production of a variety of chemicals, including polymers and resins. It is also used as a solvent and as a fuel additive..

Cis-2-Pentene is a flammable liquid and should be stored in a cool, dry place..

3D structure

Cartesian coordinates

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

2D drawing


cis-2-Pentene QMMOXUPEWRXHJS-HYXAFXHYSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC namecis-2-pentene
InChI codeInChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2

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 namecis-2-pentene
Molecular formulaC5H10
Molecular weight70.1329
Melting point (ºC)-151
Boiling point (ºC)37
Density (g/cm3)0.660
Molar refractivity25.68
Topological polar surface area26.0

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.