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Structure & Deep Data of Trans-2-dodecene (C12H24)

Identification of Trans-2-dodecene Chemical Compound

2D chemical structure image of trans-2-dodecene
Chemical Formula C12H24
Molecular Weight 168.31896 g/mol
IUPAC Name (2E)-dodec-2-ene
SMILES String CCCCCCCCCC=CC
InChI InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+
InChIKey ADOQBZAVKYCFOI-HWKANZROSA-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-2-dodecene molecule contains a total of 35 bond(s). There are 11 non-H bond(s), 1 multiple bond(s), 8 rotatable bond(s), and 1 double bond(s). Images of the chemical structure of trans-2-dodecene are given below:

2D chemical structure image of trans-2-dodecene
2-dimensional (2D) chemical structure image of trans-2-dodecene
3D chemical structure image of trans-2-dodecene
3-dimensional (3D) chemical structure image of trans-2-dodecene

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

The trans-2-dodecene 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-2-dodecene 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-2-dodecene 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-2-dodecene Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of trans-2-dodecene

    The SMILES string of trans-2-dodecene is CCCCCCCCCC=CC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the trans-2-dodecene.

  • Structure Data File (SDF/MOL File) of trans-2-dodecene

    The structure data file (SDF/MOL File) of trans-2-dodecene is available for download in the SDF page of trans-2-dodecene, which provides the information about the atoms, bonds, connectivity and coordinates of trans-2-dodecene. The trans-2-dodecene structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of trans-2-dodecene

    The molecular formula of trans-2-dodecene is available in chemical formula page of trans-2-dodecene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of trans-2-dodecene

    The molecular weight of trans-2-dodecene is available in molecular weight page of trans-2-dodecene, 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 trans-2-dodecene

    The trans-2-dodecene 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-2-dodecene including the various registry numbers, if available:

    • (E)-dodec-2-ene
    • 2-Dodecene, (E)-
    • (2E)-2-Dodecene
    • 68991-52-6
    • Alkenes, C10-16

Trans-2-dodecene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of trans-2-dodecene?
C12H24
How many atoms and what are the elements included the trans-2-dodecene molecule?
36 atom(s) - 24 Hydrogen atom(s) and 12 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the trans-2-dodecene structure?
35 bond(s) - 11 non-H bond(s), 1 multiple bond(s), 8 rotatable bond(s), and 1 double bond(s)
What’s the trans-2-dodecene’s molecular weight?
168.31896 g/mol
What’s the SMILES code of trans-2-dodecene?
CCCCCCCCCC=CC
What’s the InChI string of trans-2-dodecene?
InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+
What’s the InChIKey code of trans-2-dodecene?
ADOQBZAVKYCFOI-HWKANZROSA-N

319 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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