Structure & Deep Data of Trans-Octahydropentalene (C8H14)
Identification of Trans-Octahydropentalene Chemical Compound
| Chemical Formula | C8H14 |
|---|---|
| Molecular Weight | 110.19676 g/mol |
| IUPAC Name | octahydropentalene |
| SMILES String | C2CC1CCCC1C2 |
| InChI | InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2/t7-,8- |
| InChIKey | AEBWATHAIVJLTA-ZKCHVHJHSA-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-Octahydropentalene molecule contains a total of 23 bond(s). There are 9 non-H bond(s), 2 five-membered ring(s), and 1 eight-membered ring(s). Images of the chemical structure of trans-Octahydropentalene are given below:
The 2D chemical structure image of trans-Octahydropentalene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trans-Octahydropentalene 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-Octahydropentalene 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-Octahydropentalene. 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-Octahydropentalene is provided here.
The trans-Octahydropentalene 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-Octahydropentalene 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-Octahydropentalene 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-Octahydropentalene Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of trans-Octahydropentalene
The SMILES string of trans-Octahydropentalene is C2CC1CCCC1C2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the trans-Octahydropentalene.
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Structure Data File (SDF/MOL File) of trans-Octahydropentalene
The structure data file (SDF/MOL File) of trans-Octahydropentalene is available for download in the SDF page of trans-Octahydropentalene, which provides the information about the atoms, bonds, connectivity and coordinates of trans-Octahydropentalene. The trans-Octahydropentalene structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of trans-Octahydropentalene
The molecular formula of trans-Octahydropentalene is available in chemical formula page of trans-Octahydropentalene, 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-Octahydropentalene
The molecular weight of trans-Octahydropentalene is available in molecular weight page of trans-Octahydropentalene, 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-Octahydropentalene
The trans-Octahydropentalene 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-Octahydropentalene including the various registry numbers, if available:
None available.
Trans-Octahydropentalene Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of trans-Octahydropentalene? |
|---|
| C8H14 |
| How many atoms and what are the elements included the trans-Octahydropentalene molecule? |
| 22 atom(s) - 14 Hydrogen atom(s) and 8 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the trans-Octahydropentalene structure? |
| 23 bond(s) - 9 non-H bond(s), 2 five-membered ring(s), and 1 eight-membered ring(s) |
| What’s the trans-Octahydropentalene’s molecular weight? |
| 110.19676 g/mol |
| What’s the SMILES code of trans-Octahydropentalene? |
| C2CC1CCCC1C2 |
| What’s the InChI string of trans-Octahydropentalene? |
| InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2/t7-,8- |
| What’s the InChIKey code of trans-Octahydropentalene? |
| AEBWATHAIVJLTA-ZKCHVHJHSA-N |
939
The contents of this page can freely be shared if cited as follows:
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).