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Structure of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID (C16H20O3)

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2D chemical structure image of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Chemical Formula C16H20O3
Molecular Weight 260.3282 g/mol
IUPAC Name (1R,2R)-2-[(2,5-dimethylphenyl)carbonyl]cyclohexane-1-carboxylic acid
SMILES String Cc1ccc(C)c(c1)C(=O)C2CCCCC2C(O)=O
InChI InChI=1S/C16H20O3/c1-10-7-8-11(2)14(9-10)15(17)12-5-3-4-6-13(12)16(18)19/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)/t12-,13-/m1/s1
InChIKey DJWXJQQNNQJGSC-CHWSQXEVSA-N
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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 TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID molecule contains a total of 40 bond(s). There are 20 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ketone(s) (aromatic), and 1 hydroxyl group(s). Images of the chemical structure of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID are given below:

2D chemical structure image of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
2-dimensional (2D) chemical structure image of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
3D chemical structure image of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
3-dimensional (3D) chemical structure image of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID

The 2D chemical structure image of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 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-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 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-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID. 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 TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID is provided here.

The TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 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-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 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-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 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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  • 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 TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID Molecule

  • Other names (synonyms) or registry numbers of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID

    The TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 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-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID including the various registry numbers, if available:

    • MFCD01319748
    • 733742-82-0
    • TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID

TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID?
C16H20O3
How many atoms and what are the elements included the TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID molecule?
39 atom(s) - 20 Hydrogen atom(s), 16 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID structure?
40 bond(s) - 20 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ketone(s) (aromatic), and 1 hydroxyl group(s)
What’s the TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID’s molecular weight?
260.3282 g/mol
What’s the SMILES code of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID?
Cc1ccc(C)c(c1)C(=O)C2CCCCC2C(O)=O
What’s the InChI string of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID?
InChI=1S/C16H20O3/c1-10-7-8-11(2)14(9-10)15(17)12-5-3-4-6-13(12)16(18)19/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)/t12-,13-/m1/s1
What’s the InChIKey code of TRANS-2-(2,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID?
DJWXJQQNNQJGSC-CHWSQXEVSA-N