Structure & Deep Data of Cycloheptatriene (C7H8)
Identification of Cycloheptatriene Chemical Compound
| Chemical Formula | C7H8 |
|---|---|
| Molecular Weight | 92.13842 g/mol |
| IUPAC Name | cyclohepta-1,3,5-triene |
| SMILES String | C1C=CC=CC=C1 |
| InChI | InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-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 Cycloheptatriene molecule contains a total of 15 bond(s). There are 7 non-H bond(s), 3 multiple bond(s), 3 double bond(s), and 1 seven-membered ring(s). Images of the chemical structure of Cycloheptatriene are given below:
The 2D chemical structure image of Cycloheptatriene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cycloheptatriene 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 Cycloheptatriene 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 Cycloheptatriene. 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 Cycloheptatriene is provided here.
The Cycloheptatriene 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 Cycloheptatriene 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 Cycloheptatriene 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 Cycloheptatriene Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Cycloheptatriene
The SMILES string of Cycloheptatriene is C1C=CC=CC=C1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cycloheptatriene.
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Structure Data File (SDF/MOL File) of Cycloheptatriene
The structure data file (SDF/MOL File) of Cycloheptatriene is available for download in the SDF page of Cycloheptatriene, which provides the information about the atoms, bonds, connectivity and coordinates of Cycloheptatriene. The Cycloheptatriene structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Cycloheptatriene
The molecular formula of Cycloheptatriene is available in chemical formula page of Cycloheptatriene, 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 Cycloheptatriene
The molecular weight of Cycloheptatriene is available in molecular weight page of Cycloheptatriene, 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 Cycloheptatriene
The Cycloheptatriene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Cycloheptatriene including the various registry numbers, if available:
- C-30174
- BBV-75779120
- W-109559
- I14-8226
- A830174
- Cycloheptatriene [UN2603] [Flammable liquid]
- Cycloheptatriene [UN2603] [Flammable liquid]
- (1,3-Cycloheptadiene-5,6-diyl)radical
- UN 2603
- MFCD00004146
- ANW-32075
- 7866AB
- Cycloheptatriene, 95%
- Tropilidin
- 1H-[7]annulene
- Zykloheptatrien
- Tropyliden
- Cycloheptatrien
- Tropiliden
- Tropilidine
- 1,3,5-CYCLOHEPTATRIENE
- 544-25-2
- Tropilidene
- Cycloheptatriene
Cycloheptatriene Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Cycloheptatriene? |
|---|
| C7H8 |
| How many atoms and what are the elements included the Cycloheptatriene molecule? |
| 15 atom(s) - 8 Hydrogen atom(s) and 7 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the Cycloheptatriene structure? |
| 15 bond(s) - 7 non-H bond(s), 3 multiple bond(s), 3 double bond(s), and 1 seven-membered ring(s) |
| What’s the Cycloheptatriene’s molecular weight? |
| 92.13842 g/mol |
| What’s the SMILES code of Cycloheptatriene? |
| C1C=CC=CC=C1 |
| What’s the InChI string of Cycloheptatriene? |
| InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| What’s the InChIKey code of Cycloheptatriene? |
| CHVJITGCYZJHLR-UHFFFAOYSA-N |
3704
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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).