Formula of Isatin-3-oxime, 2TBDMS derivative (C20H34N2O2Si2)
Identification of Isatin-3-oxime, 2TBDMS derivative Chemical Compound
| Chemical Formula | C20H34N2O2Si2 |
|---|---|
| Molecular Weight | 390.66716 g/mol |
| IUPAC Name | (3Z)-1-(tert-butyldimethylsilyl)-3-{[(tert-butyldimethylsilyl)oxy]imino}-2,3-dihydro-1H-indol-2-one |
| SMILES String | CC(C)(C)[Si](C)(C)ON=C1C(=O)N(c2ccccc12)[Si](C)(C)C(C)(C)C |
| InChI | InChI=1S/C20H34N2O2Si2/c1-19(2,3)25(7,8)22-16-14-12-11-13-15(16)17(18(22)23)21-24-26(9,10)20(4,5)6/h11-14H,1-10H3/b21-17- |
| InChIKey | VRWDHLUDEGPWIK-FXBPSFAMSA-N |
Chemical Formula Description
The Isatin-3-oxime, 2TBDMS derivative molecule contains a total of 60 atom(s). There are 34 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s). A chemical formula of Isatin-3-oxime, 2TBDMS derivative can therefore be written as:
C20H34N2O2Si2
The chemical formula of Isatin-3-oxime, 2TBDMS derivative shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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Additional Information for Identifying Isatin-3-oxime, 2TBDMS derivative Molecule
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Structure Data File (SDF/MOL File) of Isatin-3-oxime, 2TBDMS derivative
The structure data file (SDF/MOL File) of Isatin-3-oxime, 2TBDMS derivative is available for download in the SDF page of Isatin-3-oxime, 2TBDMS derivative providing the information about the atoms, bonds, connectivity and coordinates of Isatin-3-oxime, 2TBDMS derivative, which is not completely available in the chemical formula representation. The Isatin-3-oxime, 2TBDMS derivative structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Isatin-3-oxime, 2TBDMS derivative
The chemical structure image of Isatin-3-oxime, 2TBDMS derivative is available in chemical structure page of Isatin-3-oxime, 2TBDMS derivative, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Isatin-3-oxime, 2TBDMS derivative and the chemical bonds that hold the atoms together.
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Molecular weight of Isatin-3-oxime, 2TBDMS derivative
The molecular weight of Isatin-3-oxime, 2TBDMS derivative is available in molecular weight page of Isatin-3-oxime, 2TBDMS derivative, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Isatin-3-oxime, 2TBDMS derivative.
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InChI (IUPAC International Chemical Identifier) information of Isatin-3-oxime, 2TBDMS derivative
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Isatin-3-oxime, 2TBDMS derivative is:
InChI=1S/C20H34N2O2Si2/c1-19(2,3)25(7,8)22-16-14-12-11-13-15(16)17(18(22)23)21-24-26(9,10)20(4,5)6/h11-14H,1-10H3/b21-17-
It can provide a standard way to encode the molecular information of Isatin-3-oxime, 2TBDMS derivative 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 Isatin-3-oxime, 2TBDMS derivative is:
InChIKey=VRWDHLUDEGPWIK-FXBPSFAMSA-N
The InChIKey may allow easier web searches for Isatin-3-oxime, 2TBDMS derivative, but it needs to be linked to the full InChI to get back to the original structure of the Isatin-3-oxime, 2TBDMS derivative since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Isatin-3-oxime, 2TBDMS derivative
The Isatin-3-oxime, 2TBDMS derivative compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Isatin-3-oxime, 2TBDMS derivative including the registry numbers is given below, if available:
- (3Z)-1-[tert-Butyl(dimethyl)silyl]-1H-indole-2,3-dione 3-(O-[tert-butyl(dimethyl)silyl]oxime) #
- 1H-Indole-2,3-dione, 1-(tert-butyldimethylsilyl)-, 3-[O-(tert-butyldimethylsilyl)oxime]
- Isatin-3-oxime, 2TBDMS derivative
Isatin-3-oxime, 2TBDMS derivative Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Isatin-3-oxime, 2TBDMS derivative? |
|---|
| C20H34N2O2Si2 |
| How many atoms and what are they in the Isatin-3-oxime, 2TBDMS derivative structure? |
| 60 atom(s) - 34 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what are they in the Isatin-3-oxime, 2TBDMS derivative structure? |
| 61 bond(s) - 27 non-H bond(s), 8 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 nine-membered ring(s) |
| What’s the molecular weight of Isatin-3-oxime, 2TBDMS derivative? |
| 390.66716 g/mol |
| What’s the SMILES string of Isatin-3-oxime, 2TBDMS derivative? |
| CC(C)(C)[Si](C)(C)ON=C1C(=O)N(c2ccccc12)[Si](C)(C)C(C)(C)C |
| What’s the InChI of Isatin-3-oxime, 2TBDMS derivative? |
| InChI=1S/C20H34N2O2Si2/c1-19(2,3)25(7,8)22-16-14-12-11-13-15(16)17(18(22)23)21-24-26(9,10)20(4,5)6/h11-14H,1-10H3/b21-17- |
| What’s the InChIKey of Isatin-3-oxime, 2TBDMS derivative? |
| VRWDHLUDEGPWIK-FXBPSFAMSA-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).