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Structure of (1r,4r)-methyl 4-formylcyclohexanecarboxylate (C9H14O3)

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2D chemical structure image of (1r,4r)-methyl 4-formylcyclohexanecarboxylate
Chemical Formula C9H14O3
Molecular Weight 170.20566 g/mol
IUPAC Name methyl 4-formylcyclohexane-1-carboxylate
SMILES String COC(=O)C1CCC(CC1)C=O
InChI InChI=1S/C9H14O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h6-8H,2-5H2,1H3
InChIKey LARSGJZNVQJRMD-UHFFFAOYSA-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 (1r,4r)-methyl 4-formylcyclohexanecarboxylate molecule contains a total of 26 bond(s). There are 12 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 aldehyde(s) (aliphatic). Images of the chemical structure of (1r,4r)-methyl 4-formylcyclohexanecarboxylate are given below:

2D chemical structure image of (1r,4r)-methyl 4-formylcyclohexanecarboxylate
2-dimensional (2D) chemical structure image of (1r,4r)-methyl 4-formylcyclohexanecarboxylate
3D chemical structure image of (1r,4r)-methyl 4-formylcyclohexanecarboxylate
3-dimensional (3D) chemical structure image of (1r,4r)-methyl 4-formylcyclohexanecarboxylate

The 2D chemical structure image of (1r,4r)-methyl 4-formylcyclohexanecarboxylate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (1r,4r)-methyl 4-formylcyclohexanecarboxylate 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,4r)-methyl 4-formylcyclohexanecarboxylate 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,4r)-methyl 4-formylcyclohexanecarboxylate. 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 (1r,4r)-methyl 4-formylcyclohexanecarboxylate is provided here.

The (1r,4r)-methyl 4-formylcyclohexanecarboxylate 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,4r)-methyl 4-formylcyclohexanecarboxylate 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,4r)-methyl 4-formylcyclohexanecarboxylate 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 (1r,4r)-methyl 4-formylcyclohexanecarboxylate Molecule

  • Other names (synonyms) or registry numbers of (1r,4r)-methyl 4-formylcyclohexanecarboxylate

    The (1r,4r)-methyl 4-formylcyclohexanecarboxylate 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,4r)-methyl 4-formylcyclohexanecarboxylate including the various registry numbers, if available:

    • I14-10378
    • Cyclohexanecarboxylic acid, 4-formyl-, methyl ester
    • Cyclohexanecarboxylic acid, 4-formyl-, methyl este
    • (1R,4R)-rel-Methyl 4-formylcyclohexanecarboxylate
    • 4-formylcyclohexane carboxylic acid methyl ester
    • Z-5497
    • A15640
    • (1r,4r)-methyl-4-formylcyclohexanecarboxylate
    • Z4857
    • 4CH-010687
    • methyl 4-formylcyclohexane-carboxylate
    • methyl 4-formylcyclohexane carboxylate
    • MFCD12965033
    • 4866AB
    • AMCH00020
    • trans-4-Formyl-cyclohexanecarboxylic acid methyl ester
    • 4-FORMYL-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
    • Cyclohexanecarboxylic acid, 4-formyl-, methyl ester, trans-
    • Methyl trans-4-Formylcyclohexanecarboxylate
    • 37942-76-0
    • trans-Methyl 4-formylcyclohexanecarboxylate
    • methyl 4-formylcyclohexanecarboxylate
    • (1r,4r)-methyl 4-formylcyclohexanecarboxylate
    • 54274-80-5

(1r,4r)-methyl 4-formylcyclohexanecarboxylate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (1r,4r)-methyl 4-formylcyclohexanecarboxylate?
C9H14O3
How many atoms and what are the elements included the (1r,4r)-methyl 4-formylcyclohexanecarboxylate molecule?
26 atom(s) - 14 Hydrogen atom(s), 9 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the (1r,4r)-methyl 4-formylcyclohexanecarboxylate structure?
26 bond(s) - 12 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 aldehyde(s) (aliphatic)
What’s the (1r,4r)-methyl 4-formylcyclohexanecarboxylate’s molecular weight?
170.20566 g/mol
What’s the SMILES code of (1r,4r)-methyl 4-formylcyclohexanecarboxylate?
COC(=O)C1CCC(CC1)C=O
What’s the InChI string of (1r,4r)-methyl 4-formylcyclohexanecarboxylate?
InChI=1S/C9H14O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h6-8H,2-5H2,1H3
What’s the InChIKey code of (1r,4r)-methyl 4-formylcyclohexanecarboxylate?
LARSGJZNVQJRMD-UHFFFAOYSA-N