Structure of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate (C23H33NO2)
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Chemical Formula | C23H33NO2 |
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Molecular Weight | 355.51362 g/mol |
IUPAC Name | 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate |
SMILES String | CCN(CC)CC#CCOC(=O)C(C)(C1CCCCC1)c2ccccc2 |
InChI | InChI=1S/C23H33NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-11,16-19H2,1-3H3/t23-/m0/s1 |
InChIKey | WPZCZWARILAOIR-QHCPKHFHSA-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 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate molecule contains a total of 60 bond(s). There are 27 non-H bond(s), 8 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 1 triple bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ester(s) (aliphatic), and 1 tertiary amine(s) (aliphatic). Images of the chemical structure of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate are given below:
The 2D chemical structure image of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate 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 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate 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 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate. 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 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate is provided here.
The 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate 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 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate 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 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate
The SMILES string of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate is CCN(CC)CC#CCOC(=O)C(C)(C1CCCCC1)c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate.
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Structure Data File (SDF/MOL File) of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate
The structure data file (SDF/MOL File) of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate is available for download in the SDF page of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate, which provides the information about the atoms, bonds, connectivity and coordinates of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate. The 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate
The molecular formula of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate is available in chemical formula page of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate
The molecular weight of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate is available in molecular weight page of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate, 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.
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Other names (synonyms) or registry numbers of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate
The 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate including the various registry numbers, if available:
None available.
4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate? |
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C23H33NO2 |
How many atoms and what are the elements included the 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate molecule? |
59 atom(s) - 33 Hydrogen atom(s), 23 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate structure? |
60 bond(s) - 27 non-H bond(s), 8 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 1 triple bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ester(s) (aliphatic), and 1 tertiary amine(s) (aliphatic) |
What’s the 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate’s molecular weight? |
355.51362 g/mol |
What’s the SMILES code of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate? |
CCN(CC)CC#CCOC(=O)C(C)(C1CCCCC1)c2ccccc2 |
What’s the InChI string of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate? |
InChI=1S/C23H33NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-11,16-19H2,1-3H3/t23-/m0/s1 |
What’s the InChIKey code of 4-(diethylamino)but-2-yn-1-yl (2R)-2-cyclohexyl-2-phenylpropanoate? |
WPZCZWARILAOIR-QHCPKHFHSA-N |