Download Structure Data File(SDF/Mol File) of 1-Cyclohexyl-2,4-dimethylbenzene (C14H20)
Identification of 1-Cyclohexyl-2,4-dimethylbenzene Chemical Compound
|Molecular Weight||188.3086 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 1-Cyclohexyl-2,4-dimethylbenzene is available for download. Click the link below to start downloading.
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 1-Cyclohexyl-2,4-dimethylbenzene molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
Additional Information for Identifying 1-Cyclohexyl-2,4-dimethylbenzene Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-Cyclohexyl-2,4-dimethylbenzene is available in chemical structure page of 1-Cyclohexyl-2,4-dimethylbenzene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
The molecular weight of 1-Cyclohexyl-2,4-dimethylbenzene is available in molecular weight page of 1-Cyclohexyl-2,4-dimethylbenzene, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
The chemical formula of 1-Cyclohexyl-2,4-dimethylbenzene is given in chemical formula page of 1-Cyclohexyl-2,4-dimethylbenzene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
InChI (IUPAC International Chemical Identifier) information of 1-Cyclohexyl-2,4-dimethylbenzene
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-Cyclohexyl-2,4-dimethylbenzene is:
It can provide a standard way to encode the molecular information of 1-Cyclohexyl-2,4-dimethylbenzene to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 1-Cyclohexyl-2,4-dimethylbenzene is:
The InChIKey may allow easier web searches for 1-Cyclohexyl-2,4-dimethylbenzene, but it needs to be linked to the full InChI to get back to the original structure of the 1-Cyclohexyl-2,4-dimethylbenzene since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 1-Cyclohexyl-2,4-dimethylbenzene
The 1-Cyclohexyl-2,4-dimethylbenzene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-Cyclohexyl-2,4-dimethylbenzene including the registry numbers are listed below, if available:
- 1-Cyclohexyl-2,4-dimethylbenzene #
1-Cyclohexyl-2,4-dimethylbenzene Identification Summary Frequently Asked Questions (FAQs)
What’s the 1-Cyclohexyl-2,4-dimethylbenzene formula?C14H20
How many atoms and what elements are included in the 1-Cyclohexyl-2,4-dimethylbenzene molecule?34 atom(s) – 20 Hydrogen atom(s) and 14 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the 1-Cyclohexyl-2,4-dimethylbenzene structure?35 bond(s) – 15 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s) and 2 six-membered ring(s)
What’s the 1-Cyclohexyl-2,4-dimethylbenzene’s molar mass?188.3086 g/mol
What’s the SMILES structure of 1-Cyclohexyl-2,4-dimethylbenzene?Cc2ccc(C1CCCCC1)c(C)c2
What’s the InChI code of 1-Cyclohexyl-2,4-dimethylbenzene?InChI=1S/C14H20/c1-11-8-9-14(12(2)10-11)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
What’s the InChIKey format of 1-Cyclohexyl-2,4-dimethylbenzene?AGLWOTGIKIGSJD-UHFFFAOYSA-N