Structure of Cyclohexyl methyl ether (C7H14O)
Powered by CC-DPS Delivering 2,100+ Information Sets per Compound.
| Chemical Formula | C7H14O |
|---|---|
| Molecular Weight | 114.18546 g/mol |
| IUPAC Name | methoxycyclohexane |
| SMILES String | COC1CCCCC1 |
| InChI | InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| InChIKey | GHDIHPNJQVDFBL-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Cyclohexyl methyl ether molecule contains a total of 22 bond(s). There are 8 non-H bond(s), 1 rotatable bond(s), 1 six-membered ring(s), and 1 ether(s) (aliphatic). Images of the chemical structure of Cyclohexyl methyl ether are given below:
The 2D chemical structure image of Cyclohexyl methyl ether is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cyclohexyl methyl ether are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Cyclohexyl methyl ether is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Cyclohexyl methyl ether. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Cyclohexyl methyl ether is provided here.
The Cyclohexyl methyl ether molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Cyclohexyl methyl ether molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Cyclohexyl methyl ether can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
Search Another Chemical Structure
Enter another compound to search for chemical structure:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Cyclohexyl methyl ether Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of Cyclohexyl methyl ether
The SMILES string of Cyclohexyl methyl ether is COC1CCCCC1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cyclohexyl methyl ether.
-
Structure Data File (SDF/MOL File) of Cyclohexyl methyl ether
The structure data file (SDF/MOL File) of Cyclohexyl methyl ether is available for download in the SDF page of Cyclohexyl methyl ether, which provides the information about the atoms, bonds, connectivity and coordinates of Cyclohexyl methyl ether. The Cyclohexyl methyl ether structure data file can be imported to most of the cheminformatics software systems and applications.
-
Chemical formula of Cyclohexyl methyl ether
The molecular formula of Cyclohexyl methyl ether is available in chemical formula page of Cyclohexyl methyl ether, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
Molecular weight of Cyclohexyl methyl ether
The molecular weight of Cyclohexyl methyl ether is available in molecular weight page of Cyclohexyl methyl ether, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
-
Other names (synonyms) or registry numbers of Cyclohexyl methyl ether
The Cyclohexyl methyl ether compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Cyclohexyl methyl ether including the various registry numbers, if available:
- I14-21009
- I14-4788
- A844461
- M2374
- (+/-)-2-methoxycyclohexane
- I340UAT8HB
- Methyl cyclohexyl ether
- Cyclohexylmethylether
- methoxy-cyclohexane
- Ether, cyclohexyl methyl
- 931-56-6
- Cyclohexane, methoxy-
- 1-Methoxycyclohexane
- Cyclohexyl methyl ether
Cyclohexyl methyl ether Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Cyclohexyl methyl ether? |
|---|
| C7H14O |
| How many atoms and what are the elements included the Cyclohexyl methyl ether molecule? |
| 22 atom(s) - 14 Hydrogen atom(s), 7 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Cyclohexyl methyl ether structure? |
| 22 bond(s) - 8 non-H bond(s), 1 rotatable bond(s), 1 six-membered ring(s), and 1 ether(s) (aliphatic) |
| What’s the Cyclohexyl methyl ether’s molecular weight? |
| 114.18546 g/mol |
| What’s the SMILES code of Cyclohexyl methyl ether? |
| COC1CCCCC1 |
| What’s the InChI string of Cyclohexyl methyl ether? |
| InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| What’s the InChIKey code of Cyclohexyl methyl ether? |
| GHDIHPNJQVDFBL-UHFFFAOYSA-N |