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Structure & Deep Data of 1-ethynylcyclohexene (C8H10)

Identification of 1-ethynylcyclohexene Chemical Compound

2D chemical structure image of 1-ethynylcyclohexene
Chemical Formula C8H10
Molecular Weight 106.165 g/mol
IUPAC Name 1-ethynylcyclohex-1-ene
SMILES String C#CC1=CCCCC1
InChI InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2
InChIKey DKFHWNGVMWFBJE-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 1-ethynylcyclohexene molecule contains a total of 18 bond(s). There are 8 non-H bond(s), 2 multiple bond(s), 1 double bond(s), 1 triple bond(s), and 1 six-membered ring(s). Images of the chemical structure of 1-ethynylcyclohexene are given below:

2D chemical structure image of 1-ethynylcyclohexene
2-dimensional (2D) chemical structure image of 1-ethynylcyclohexene
3D chemical structure image of 1-ethynylcyclohexene
3-dimensional (3D) chemical structure image of 1-ethynylcyclohexene

The 2D chemical structure image of 1-ethynylcyclohexene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-ethynylcyclohexene 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 1-ethynylcyclohexene 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 1-ethynylcyclohexene. 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 1-ethynylcyclohexene is provided here.

The 1-ethynylcyclohexene 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 1-ethynylcyclohexene 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 1-ethynylcyclohexene 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 1-ethynylcyclohexene Molecule

  • Other names (synonyms) or registry numbers of 1-ethynylcyclohexene

    The 1-ethynylcyclohexene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-ethynylcyclohexene including the various registry numbers, if available:

    • AR-1C3079
    • 50696-61-2
    • I14-53087
    • cyclohexene, 1-ethynyl- (6ci, 7ci, 8ci, 9ci)
    • MFCD00001568
    • ZERO/008039
    • CYCLOHEXENE 1-ETHYNYL-
    • 1-(1-ethynyl)-1-cyclohexene
    • 7TJ42SRP2Z
    • 1-Ethynylcyclohexene, 99%
    • 1-Cyclohexene, 1-ethynyl-
    • timtec-bb sbb002648
    • Cyclohexene,1-ethynyl-
    • Cyclohexene, ethynyl-
    • 1-ethynyl-cyclohexen
    • 1-ethvnvlcvclohexene
    • ethynylcyclohexene
    • cyclohexenyl-acetylene
    • 1-ethynyl-1-cyclohexene
    • 1-ETHYNYL-CYCLOHEXENE
    • Cyclohexene, 1-ethynyl-
    • 931-49-7
    • 1-ethynylcyclohexene

1-ethynylcyclohexene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-ethynylcyclohexene?
C8H10
How many atoms and what are the elements included the 1-ethynylcyclohexene molecule?
18 atom(s) - 10 Hydrogen atom(s) and 8 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the 1-ethynylcyclohexene structure?
18 bond(s) - 8 non-H bond(s), 2 multiple bond(s), 1 double bond(s), 1 triple bond(s), and 1 six-membered ring(s)
What’s the 1-ethynylcyclohexene’s molecular weight?
106.165 g/mol
What’s the SMILES code of 1-ethynylcyclohexene?
C#CC1=CCCCC1
What’s the InChI string of 1-ethynylcyclohexene?
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2
What’s the InChIKey code of 1-ethynylcyclohexene?
DKFHWNGVMWFBJE-UHFFFAOYSA-N

27 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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