cis-Cyclodecene

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

What is the cis-Cyclodecene?

The molecule cis-Cyclodecene presents a molecular formula of C10H18 and its IUPAC name is cis-cyclodecene.

Cis-cyclodecene is a hydrocarbon with the molecular formula C10H16. It is a colourless liquid with a sweet, floral odor. It is insoluble in water, but miscible with most organic solvents..

Cyclodecene is used as a starting material in the synthesis of several commercial products, including the insecticide methoprene and the antifungal agent ketoconazole. It is also used in the manufacture of rubber and plastic additives..

Health and safety.

Cis-cyclodecene is a flammable liquid and vapour. Inhalation of the vapour may cause drowsiness and dizziness. Skin contact may cause irritation. Prolonged or repeated exposure may cause skin sensitization..

3D structure

Cartesian coordinates

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

2D drawing

 

cis-Cyclodecene UCIYGNATMHQYCT-UPHRSURJSA-N chemical compound 2D structure molecule svg
cis-Cyclodecene

 

Molecule descriptors

 
IUPAC namecis-cyclodecene
InChI codeInChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
InChI KeyUCIYGNATMHQYCT-UPHRSURJSA-N
SMILESC1=CCCCCCCCC1

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-cyclodecene
Molecular formulaC10H18
Molecular weight138.25
Melting point (ºC)-
Boiling point (ºC)196
Density (g/cm3)0.877
Molar refractivity47.60
LogP3.7
Topological polar surface area20.2

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.