Structure & Deep Data of Cis-Octahydropentalene (C8H14)
Identification of Cis-Octahydropentalene Chemical Compound
Chemical Formula | C8H14 |
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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-OCAPTIKFSA-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 cis-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 cis-Octahydropentalene are given below:
The 2D chemical structure image of cis-Octahydropentalene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of cis-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 cis-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 cis-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 cis-Octahydropentalene is provided here.
The cis-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 cis-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 cis-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 Cis-Octahydropentalene Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of cis-Octahydropentalene
The SMILES string of cis-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 cis-Octahydropentalene.
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Structure Data File (SDF/MOL File) of cis-Octahydropentalene
The structure data file (SDF/MOL File) of cis-Octahydropentalene is available for download in the SDF page of cis-Octahydropentalene, which provides the information about the atoms, bonds, connectivity and coordinates of cis-Octahydropentalene. The cis-Octahydropentalene structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of cis-Octahydropentalene
The molecular formula of cis-Octahydropentalene is available in chemical formula page of cis-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 cis-Octahydropentalene
The molecular weight of cis-Octahydropentalene is available in molecular weight page of cis-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 cis-Octahydropentalene
The cis-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 cis-Octahydropentalene including the various registry numbers, if available:
None available.
Cis-Octahydropentalene Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of cis-Octahydropentalene? |
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C8H14 |
How many atoms and what are the elements included the cis-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 cis-Octahydropentalene structure? |
23 bond(s) - 9 non-H bond(s), 2 five-membered ring(s), and 1 eight-membered ring(s) |
What’s the cis-Octahydropentalene’s molecular weight? |
110.19676 g/mol |
What’s the SMILES code of cis-Octahydropentalene? |
C2CC1CCCC1C2 |
What’s the InChI string of cis-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 cis-Octahydropentalene? |
AEBWATHAIVJLTA-OCAPTIKFSA-N |
846
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).