SDF/Mol File of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane (C10H27NO2Si2)
Identification of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane Chemical Compound
| Chemical Formula | C10H27NO2Si2 |
|---|---|
| Molecular Weight | 249.49788 g/mol |
| IUPAC Name | 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane |
| SMILES String | CCO[Si](C)(C)CNC[Si](C)(C)OCC |
| InChI | InChI=1S/C10H27NO2Si2/c1-7-12-14(3,4)9-11-10-15(5,6)13-8-2/h11H,7-10H2,1-6H3 |
| InChIKey | KYOWQAUXTWDSOO-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Additional Information for Identifying 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane Molecule
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Chemical structure of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane is available in chemical structure page of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane
The molecular weight of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane is available in molecular weight page of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane
The chemical formula of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane is given in chemical formula page of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane is:
InChI=1S/C10H27NO2Si2/c1-7-12-14(3,4)9-11-10-15(5,6)13-8-2/h11H,7-10H2,1-6H3
It can provide a standard way to encode the molecular information of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane is:
InChIKey=KYOWQAUXTWDSOO-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane, but it needs to be linked to the full InChI to get back to the original structure of the 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane
The 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane including the registry numbers are listed below, if available:
None available.
4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane Identification Summary Frequently Asked Questions (FAQs)
| What’s the 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane formula? |
|---|
| C10H27NO2Si2 |
| How many atoms and what elements are included in the 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane molecule? |
| 42 atom(s) - 27 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane structure? |
| 41 bond(s) - 14 non-H bond(s), 8 rotatable bond(s), and 1 secondary amine(s) (aliphatic) |
| What’s the 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane’s molar mass? |
| 249.49788 g/mol |
| What’s the SMILES structure of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane? |
| CCO[Si](C)(C)CNC[Si](C)(C)OCC |
| What’s the InChI code of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane? |
| InChI=1S/C10H27NO2Si2/c1-7-12-14(3,4)9-11-10-15(5,6)13-8-2/h11H,7-10H2,1-6H3 |
| What’s the InChIKey format of 4,4,8,8-tetramethyl-3,9-dioxa-6-aza-4,8-disilaundecane? |
| KYOWQAUXTWDSOO-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).