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Structure & Deep Data of Benzene, 1-hexenyl-, (E) (C12H16)

Identification of Benzene, 1-hexenyl-, (E) Chemical Compound

2D chemical structure image of Benzene, 1-hexenyl-, (E)
Chemical Formula C12H16
Molecular Weight 160.25544 g/mol
IUPAC Name (1E)-hex-1-en-1-ylbenzene
SMILES String CCCCC=Cc1ccccc1
InChI InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-11H,2-4H2,1H3/b9-6+
InChIKey KETWBQOXTBGBBN-RMKNXTFCSA-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 Benzene, 1-hexenyl-, (E) molecule contains a total of 28 bond(s). There are 12 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), and 1 six-membered ring(s). Images of the chemical structure of Benzene, 1-hexenyl-, (E) are given below:

2D chemical structure image of Benzene, 1-hexenyl-, (E)
2-dimensional (2D) chemical structure image of Benzene, 1-hexenyl-, (E)
3D chemical structure image of Benzene, 1-hexenyl-, (E)
3-dimensional (3D) chemical structure image of Benzene, 1-hexenyl-, (E)

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

The Benzene, 1-hexenyl-, (E) 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 Benzene, 1-hexenyl-, (E) 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 Benzene, 1-hexenyl-, (E) 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 Benzene, 1-hexenyl-, (E) Molecule

  • Other names (synonyms) or registry numbers of Benzene, 1-hexenyl-, (E)

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

    • Benzene, 1-hexenyl-, (E)
    • Hex-1-enylbenzene
    • (1E)-1-Hexenylbenzene

Benzene, 1-hexenyl-, (E) Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Benzene, 1-hexenyl-, (E)?
C12H16
How many atoms and what are the elements included the Benzene, 1-hexenyl-, (E) molecule?
28 atom(s) - 16 Hydrogen atom(s) and 12 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the Benzene, 1-hexenyl-, (E) structure?
28 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), and 1 six-membered ring(s)
What’s the Benzene, 1-hexenyl-, (E)’s molecular weight?
160.25544 g/mol
What’s the SMILES code of Benzene, 1-hexenyl-, (E)?
CCCCC=Cc1ccccc1
What’s the InChI string of Benzene, 1-hexenyl-, (E)?
InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-11H,2-4H2,1H3/b9-6+
What’s the InChIKey code of Benzene, 1-hexenyl-, (E)?
KETWBQOXTBGBBN-RMKNXTFCSA-N

32 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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