Structure & Deep Data of Diethoxysilane (C4H12O2Si)
Identification of Diethoxysilane Chemical Compound
| Chemical Formula | C4H12O2Si |
|---|---|
| Molecular Weight | 120.22238 g/mol |
| IUPAC Name | diethoxysilane |
| SMILES String | CCO[SiH2]OCC |
| InChI | InChI=1S/C4H12O2Si/c1-3-5-7-6-4-2/h3-4,7H2,1-2H3 |
| InChIKey | ZXPDYFSTVHQQOI-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 diethoxysilane molecule contains a total of 18 bond(s). There are 6 non-H bond(s) and 4 rotatable bond(s). Images of the chemical structure of diethoxysilane are given below:
The 2D chemical structure image of diethoxysilane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of diethoxysilane 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 diethoxysilane 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 diethoxysilane. 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 diethoxysilane is provided here.
The diethoxysilane 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 diethoxysilane 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 diethoxysilane 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 Diethoxysilane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of diethoxysilane
The SMILES string of diethoxysilane is CCO[SiH2]OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the diethoxysilane.
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Structure Data File (SDF/MOL File) of diethoxysilane
The structure data file (SDF/MOL File) of diethoxysilane is available for download in the SDF page of diethoxysilane, which provides the information about the atoms, bonds, connectivity and coordinates of diethoxysilane. The diethoxysilane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of diethoxysilane
The molecular formula of diethoxysilane is available in chemical formula page of diethoxysilane, 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 diethoxysilane
The molecular weight of diethoxysilane is available in molecular weight page of diethoxysilane, 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 diethoxysilane
The diethoxysilane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of diethoxysilane including the various registry numbers, if available:
None available.
Diethoxysilane Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of diethoxysilane? |
|---|
| C4H12O2Si |
| How many atoms and what are the elements included the diethoxysilane molecule? |
| 19 atom(s) - 12 Hydrogen atom(s), 4 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the diethoxysilane structure? |
| 18 bond(s) - 6 non-H bond(s) and 4 rotatable bond(s) |
| What’s the diethoxysilane’s molecular weight? |
| 120.22238 g/mol |
| What’s the SMILES code of diethoxysilane? |
| CCO[SiH2]OCC |
| What’s the InChI string of diethoxysilane? |
| InChI=1S/C4H12O2Si/c1-3-5-7-6-4-2/h3-4,7H2,1-2H3 |
| What’s the InChIKey code of diethoxysilane? |
| ZXPDYFSTVHQQOI-UHFFFAOYSA-N |
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The contents of this page can freely be shared if cited as follows:
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).