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Structure & Deep Data of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene (C12H14)

Identification of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene Chemical Compound

2D chemical structure image of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene
Chemical Formula C12H14
Molecular Weight 158.23956 g/mol
IUPAC Name (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene
SMILES String C2CCC13C=CC=CC1(C2)C=C3
InChI InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-2,5-6,9-10H,3-4,7-8H2/t11-,12+
InChIKey PATIUEOBXCLCSQ-TXEJJXNPSA-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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene molecule contains a total of 28 bond(s). There are 14 non-H bond(s), 3 multiple bond(s), 3 double bond(s), 1 four-membered ring(s), 2 six-membered ring(s), 2 eight-membered ring(s), and 1 ten-membered ring(s). Images of the chemical structure of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene are given below:

2D chemical structure image of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene
2-dimensional (2D) chemical structure image of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene
3D chemical structure image of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene
3-dimensional (3D) chemical structure image of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene

The 2D chemical structure image of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene. 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene is provided here.

The (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene 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 (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene Molecule

  • Other names (synonyms) or registry numbers of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene

    The (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene including the various registry numbers, if available:



    None available.


(1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene?
C12H14
How many atoms and what are the elements included the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene molecule?
26 atom(s) - 14 Hydrogen atom(s) and 12 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene structure?
28 bond(s) - 14 non-H bond(s), 3 multiple bond(s), 3 double bond(s), 1 four-membered ring(s), 2 six-membered ring(s), 2 eight-membered ring(s), and 1 ten-membered ring(s)
What’s the (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene’s molecular weight?
158.23956 g/mol
What’s the SMILES code of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene?
C2CCC13C=CC=CC1(C2)C=C3
What’s the InChI string of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene?
InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-2,5-6,9-10H,3-4,7-8H2/t11-,12+
What’s the InChIKey code of (1R,6S)-tricyclo[4.4.2.0^{1,6}]dodeca-2,4,11-triene?
PATIUEOBXCLCSQ-TXEJJXNPSA-N

25 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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