Cyclohexyne Structure - C6H8 - Over 100 Million Chemical Compounds

Home Structure This Compound search button Structure of Cyclohexyne (C6H8)

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Chemical Formula	C6H8
Molecular Weight	80.12772 g/mol
IUPAC Name	cyclohexyne
SMILES String	C1CCC#CC1
InChI	InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H2
InChIKey	AAFFTDXPYADISO-UHFFFAOYSA-N
Citation	CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network.

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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Cyclohexyne molecule contains a total of 14 bond(s). There are 6 non-H bond(s), 1 multiple bond(s), 1 triple bond(s), and 1 six-membered ring(s). Images of the chemical structure of Cyclohexyne are given below:

The 2D chemical structure image of Cyclohexyne is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cyclohexyne 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 Cyclohexyne 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 Cyclohexyne. Download structure data file (SDF/MOL) file of this compound.

Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of Cyclohexyne is provided here.

The Cyclohexyne 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 Cyclohexyne 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 Cyclohexyne 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.

Search Another Chemical Structure

Enter another compound to search for chemical structure:

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Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

• Name: ethanol
• CAS #: 64-17-5
• Formula: C2H5OH
• Smiles: CCO

• InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
• InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Cyclohexyne Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Cyclohexyne

  The SMILES string of Cyclohexyne is C1CCC#CC1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cyclohexyne.

• Structure Data File (SDF/MOL File) of Cyclohexyne

  The structure data file (SDF/MOL File) of Cyclohexyne is available for download in the SDF page of Cyclohexyne, which provides the information about the atoms, bonds, connectivity and coordinates of Cyclohexyne. The Cyclohexyne structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Cyclohexyne

  The molecular formula of Cyclohexyne is available in chemical formula page of Cyclohexyne, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Cyclohexyne

  The molecular weight of Cyclohexyne is available in molecular weight page of Cyclohexyne, 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.

• Other names (synonyms) or registry numbers of Cyclohexyne

  The Cyclohexyne compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Cyclohexyne including the various registry numbers, if available:

  • 1,2-cyclohex-1-enylene
  • 1589-69-1

Cyclohexyne Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Cyclohexyne?
C6H8
How many atoms and what are the elements included the Cyclohexyne molecule?
14 atom(s) - 8 Hydrogen atom(s) and 6 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the Cyclohexyne structure?
14 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 1 triple bond(s), and 1 six-membered ring(s)
What’s the Cyclohexyne’s molecular weight?
80.12772 g/mol
What’s the SMILES code of Cyclohexyne?
C1CCC#CC1
What’s the InChI string of Cyclohexyne?
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H2
What’s the InChIKey code of Cyclohexyne?
AAFFTDXPYADISO-UHFFFAOYSA-N

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