Structure & Deep Data of Trans-1,2-Diethyl-cyclopropane (C7H14)
Identification of Trans-1,2-Diethyl-cyclopropane Chemical Compound
| Chemical Formula | C7H14 |
|---|---|
| Molecular Weight | 98.18606 g/mol |
| IUPAC Name | (1R,2R)-1,2-diethylcyclopropane |
| SMILES String | CCC1CC1CC |
| InChI | InChI=1S/C7H14/c1-3-6-5-7(6)4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 |
| InChIKey | AKOVCHSGJHQHEH-RNFRBKRXSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The trans-1,2-Diethyl-cyclopropane molecule contains a total of 21 bond(s). There are 7 non-H bond(s), 2 rotatable bond(s), and 1 three-membered ring(s). Images of the chemical structure of trans-1,2-Diethyl-cyclopropane are given below:
The 2D chemical structure image of trans-1,2-Diethyl-cyclopropane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trans-1,2-Diethyl-cyclopropane 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 trans-1,2-Diethyl-cyclopropane 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 trans-1,2-Diethyl-cyclopropane. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of trans-1,2-Diethyl-cyclopropane is provided here.
The trans-1,2-Diethyl-cyclopropane 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 trans-1,2-Diethyl-cyclopropane 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 trans-1,2-Diethyl-cyclopropane 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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Additional Information for Identifying Trans-1,2-Diethyl-cyclopropane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of trans-1,2-Diethyl-cyclopropane
The SMILES string of trans-1,2-Diethyl-cyclopropane is CCC1CC1CC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the trans-1,2-Diethyl-cyclopropane.
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Structure Data File (SDF/MOL File) of trans-1,2-Diethyl-cyclopropane
The structure data file (SDF/MOL File) of trans-1,2-Diethyl-cyclopropane is available for download in the SDF page of trans-1,2-Diethyl-cyclopropane, which provides the information about the atoms, bonds, connectivity and coordinates of trans-1,2-Diethyl-cyclopropane. The trans-1,2-Diethyl-cyclopropane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of trans-1,2-Diethyl-cyclopropane
The molecular formula of trans-1,2-Diethyl-cyclopropane is available in chemical formula page of trans-1,2-Diethyl-cyclopropane, 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 trans-1,2-Diethyl-cyclopropane
The molecular weight of trans-1,2-Diethyl-cyclopropane is available in molecular weight page of trans-1,2-Diethyl-cyclopropane, 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 trans-1,2-Diethyl-cyclopropane
The trans-1,2-Diethyl-cyclopropane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of trans-1,2-Diethyl-cyclopropane including the various registry numbers, if available:
- trans-1,2-Diethyl-cyclopropane
Trans-1,2-Diethyl-cyclopropane Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of trans-1,2-Diethyl-cyclopropane? |
|---|
| C7H14 |
| How many atoms and what are the elements included the trans-1,2-Diethyl-cyclopropane molecule? |
| 21 atom(s) - 14 Hydrogen atom(s) and 7 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the trans-1,2-Diethyl-cyclopropane structure? |
| 21 bond(s) - 7 non-H bond(s), 2 rotatable bond(s), and 1 three-membered ring(s) |
| What’s the trans-1,2-Diethyl-cyclopropane’s molecular weight? |
| 98.18606 g/mol |
| What’s the SMILES code of trans-1,2-Diethyl-cyclopropane? |
| CCC1CC1CC |
| What’s the InChI string of trans-1,2-Diethyl-cyclopropane? |
| InChI=1S/C7H14/c1-3-6-5-7(6)4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1 |
| What’s the InChIKey code of trans-1,2-Diethyl-cyclopropane? |
| AKOVCHSGJHQHEH-RNFRBKRXSA-N |
1104
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).