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Structure & Deep Data of Cis-Octahydropentalene (C8H14)

Identification of Cis-Octahydropentalene Chemical Compound

2D chemical structure image of cis-Octahydropentalene
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-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:

2D chemical structure image of cis-Octahydropentalene
2-dimensional (2D) chemical structure image of cis-Octahydropentalene
3D chemical structure image of cis-Octahydropentalene
3-dimensional (3D) chemical structure image of cis-Octahydropentalene

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.


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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

  • 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?
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).

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