Structure & Deep Data of Trimethylsilyl isobutyrate (C7H16O2Si)
Identification of Trimethylsilyl isobutyrate Chemical Compound
Chemical Formula | C7H16O2Si |
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Molecular Weight | 160.28624 g/mol |
IUPAC Name | trimethylsilyl 2-methylpropanoate |
SMILES String | CC(C)C(=O)O[Si](C)(C)C |
InChI | InChI=1S/C7H16O2Si/c1-6(2)7(8)9-10(3,4)5/h6H,1-5H3 |
InChIKey | IHTVTNNAFDOJBO-UHFFFAOYSA-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 Trimethylsilyl isobutyrate molecule contains a total of 25 bond(s). There are 9 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), and 1 double bond(s). Images of the chemical structure of Trimethylsilyl isobutyrate are given below:
The 2D chemical structure image of Trimethylsilyl isobutyrate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Trimethylsilyl isobutyrate 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 Trimethylsilyl isobutyrate 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 Trimethylsilyl isobutyrate. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Trimethylsilyl isobutyrate is provided here.
The Trimethylsilyl isobutyrate 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 Trimethylsilyl isobutyrate 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 Trimethylsilyl isobutyrate 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 Trimethylsilyl isobutyrate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Trimethylsilyl isobutyrate
The SMILES string of Trimethylsilyl isobutyrate is CC(C)C(=O)O[Si](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 Trimethylsilyl isobutyrate.
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Structure Data File (SDF/MOL File) of Trimethylsilyl isobutyrate
The structure data file (SDF/MOL File) of Trimethylsilyl isobutyrate is available for download in the SDF page of Trimethylsilyl isobutyrate, which provides the information about the atoms, bonds, connectivity and coordinates of Trimethylsilyl isobutyrate. The Trimethylsilyl isobutyrate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Trimethylsilyl isobutyrate
The molecular formula of Trimethylsilyl isobutyrate is available in chemical formula page of Trimethylsilyl isobutyrate, 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 Trimethylsilyl isobutyrate
The molecular weight of Trimethylsilyl isobutyrate is available in molecular weight page of Trimethylsilyl isobutyrate, 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 Trimethylsilyl isobutyrate
The Trimethylsilyl isobutyrate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Trimethylsilyl isobutyrate including the various registry numbers, if available:
- AR-1L7493
- I14-15196
- 2-Methylpropanoic acid, TMS derivative
- Trimethylsilyl 2-methylpropanoate #
- Isobutyric acid trimethylsilyl ester
- Propanoic acid, 2-methyl-, trimethylsilyl ester
- Isobutyric acid, trimethylsilyl ester
- Propanoic acid,2-methyl-, trimethylsilyl ester
- 16883-61-7
- Trimethylsilylisobutyrate
- Trimethylsilyl isobutyrate
Trimethylsilyl isobutyrate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Trimethylsilyl isobutyrate? |
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C7H16O2Si |
How many atoms and what are the elements included the Trimethylsilyl isobutyrate molecule? |
26 atom(s) - 16 Hydrogen atom(s), 7 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Trimethylsilyl isobutyrate structure? |
25 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), and 1 double bond(s) |
What’s the Trimethylsilyl isobutyrate’s molecular weight? |
160.28624 g/mol |
What’s the SMILES code of Trimethylsilyl isobutyrate? |
CC(C)C(=O)O[Si](C)(C)C |
What’s the InChI string of Trimethylsilyl isobutyrate? |
InChI=1S/C7H16O2Si/c1-6(2)7(8)9-10(3,4)5/h6H,1-5H3 |
What’s the InChIKey code of Trimethylsilyl isobutyrate? |
IHTVTNNAFDOJBO-UHFFFAOYSA-N |
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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).