Structure of Tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate (C14H26O4S)

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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 tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate molecule contains a total of 45 bond(s). There are 19 non-H bond(s), 3 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 sulfone(s). Images of the chemical structure of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate are given below:

The 2D chemical structure image of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate 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 tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate 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 tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate

  The SMILES string of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate is CC1CCCC(C1)S(=O)(=O)C(C)C(=O)OC(C)(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate.

• Structure Data File (SDF/MOL File) of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate

  The structure data file (SDF/MOL File) of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate is available for download in the SDF page of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate, which provides the information about the atoms, bonds, connectivity and coordinates of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate. The tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate

  The molecular formula of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate is available in chemical formula page of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate

  The molecular weight of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate is available in molecular weight page of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate, 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 tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate

  The tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate including the various registry numbers, if available:

  
  
  None available.

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Tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate?
C14H26O4S
How many atoms and what are the elements included the tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate molecule?
45 atom(s) - 26 Hydrogen atom(s), 14 Carbon atom(s), 4 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate structure?
45 bond(s) - 19 non-H bond(s), 3 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 sulfone(s)
What’s the tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate’s molecular weight?
290.41884 g/mol
What’s the SMILES code of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate?
CC1CCCC(C1)S(=O)(=O)C(C)C(=O)OC(C)(C)C
What’s the InChI string of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate?
InChI=1S/C14H26O4S/c1-10-7-6-8-12(9-10)19(16,17)11(2)13(15)18-14(3,4)5/h10-12H,6-9H2,1-5H3/t10-,11+,12-/m1/s1
What’s the InChIKey code of tert-butyl (2S)-2-{[(1R,3R)-3-methylcyclohexane]sulfonyl}propanoate?
VGALLTBDFDISAP-GRYCIOLGSA-N