Structure of 1,3,5-trimethylcyclohexane (C9H18)
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| Chemical Formula | C9H18 |
|---|---|
| Molecular Weight | 126.23922 g/mol |
| IUPAC Name | 1,3,5-trimethylcyclohexane |
| SMILES String | CC1CC(C)CC(C)C1 |
| InChI | InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8+,9- |
| InChIKey | ODNRTOSCFYDTKF-AYMMMOKOSA-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. |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1,3,5-trimethylcyclohexane molecule contains a total of 27 bond(s). There are 9 non-H bond(s) and 1 six-membered ring(s). Images of the chemical structure of 1,3,5-trimethylcyclohexane are given below:
The 2D chemical structure image of 1,3,5-trimethylcyclohexane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1,3,5-trimethylcyclohexane 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 1,3,5-trimethylcyclohexane 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 1,3,5-trimethylcyclohexane. 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 1,3,5-trimethylcyclohexane is provided here.
The 1,3,5-trimethylcyclohexane 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 1,3,5-trimethylcyclohexane 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 1,3,5-trimethylcyclohexane 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.
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- 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 1,3,5-trimethylcyclohexane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 1,3,5-trimethylcyclohexane
The SMILES string of 1,3,5-trimethylcyclohexane is CC1CC(C)CC(C)C1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1,3,5-trimethylcyclohexane.
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Structure Data File (SDF/MOL File) of 1,3,5-trimethylcyclohexane
The structure data file (SDF/MOL File) of 1,3,5-trimethylcyclohexane is available for download in the SDF page of 1,3,5-trimethylcyclohexane, which provides the information about the atoms, bonds, connectivity and coordinates of 1,3,5-trimethylcyclohexane. The 1,3,5-trimethylcyclohexane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 1,3,5-trimethylcyclohexane
The molecular formula of 1,3,5-trimethylcyclohexane is available in chemical formula page of 1,3,5-trimethylcyclohexane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 1,3,5-trimethylcyclohexane
The molecular weight of 1,3,5-trimethylcyclohexane is available in molecular weight page of 1,3,5-trimethylcyclohexane, 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.
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Other names (synonyms) or registry numbers of 1,3,5-trimethylcyclohexane
The 1,3,5-trimethylcyclohexane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1,3,5-trimethylcyclohexane including the various registry numbers, if available:
None available.
1,3,5-trimethylcyclohexane Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 1,3,5-trimethylcyclohexane? |
|---|
| C9H18 |
| How many atoms and what are the elements included the 1,3,5-trimethylcyclohexane molecule? |
| 27 atom(s) - 18 Hydrogen atom(s) and 9 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the 1,3,5-trimethylcyclohexane structure? |
| 27 bond(s) - 9 non-H bond(s) and 1 six-membered ring(s) |
| What’s the 1,3,5-trimethylcyclohexane’s molecular weight? |
| 126.23922 g/mol |
| What’s the SMILES code of 1,3,5-trimethylcyclohexane? |
| CC1CC(C)CC(C)C1 |
| What’s the InChI string of 1,3,5-trimethylcyclohexane? |
| InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8+,9- |
| What’s the InChIKey code of 1,3,5-trimethylcyclohexane? |
| ODNRTOSCFYDTKF-AYMMMOKOSA-N |