About [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate
[2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate (PubChem CID 21339171) has the molecular formula C22H59NO17Si8
and a molecular weight of 834.39 g/mol. Its IUPAC name is [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate.
Molecular Properties
| Compound Name | [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate |
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| PubChem CID | 21339171 |
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| Molecular Formula | C22H59NO17Si8 |
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| Molecular Weight | 834.39 g/mol |
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| Exact Mass | 833.19 |
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| IUPAC Name | [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate |
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| SMILES | CO[Si](C)(O[Si](C)(C)C)O[Si](CC[Si](OC)(OC)OC)(OC)O[Si](C)(OC)O[Si](OC)(O[Si](C)(OC)OC)O[Si](CCC#N)(OC)OC |
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| InChI | InChI=1S/C22H59NO17Si8/c1-24-42(15,25-2)38-48(34-11,40-46(31-8,32-9)20-18-19-23)39-44(17,27-4)37-47(33-10,22-21-45(28-5,29-6)30-7)36-43(16,26-3)35-41(12,13)14/h18,20-22H2,1-17H3 |
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| InChIKey | FOLMDCFVDYXNMW-UHFFFAOYSA-N |
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| XLogP | 2.90 |
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| TPSA | 180.70 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 28 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 834.39 |
| LogP ≤ 5 | 2.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate?
The IUPAC name of [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate (CID 21339171) is [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate.
What is the SMILES notation for [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate?
The canonical SMILES for [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate is CO[Si](C)(O[Si](C)(C)C)O[Si](CC[Si](OC)(OC)OC)(OC)O[Si](C)(OC)O[Si](OC)(O[Si](C)(OC)OC)O[Si](CCC#N)(OC)OC.
What is the InChIKey of [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate?
The InChIKey is FOLMDCFVDYXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H59NO17Si8/c1-24-42(15,25-2)38-48(34-11,40-46(31-8,32-9)20-18-19-23)39-44(17,27-4)37-47(33-10,22-21-45(28-5,29-6)30-7)36-43(16,26-3)35-41(12,13)14/h18,20-22H2,1-17H3.
What are the key properties of [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate?
[2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate has a molecular weight of 834.39 g/mol, XLogP of 2.90, 28 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoethyl(dimethoxy)silyl] [dimethoxy(methyl)silyl] [methoxy-[methoxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-(2-trimethoxysilylethyl)silyl]oxy-methylsilyl] methyl silicate is sourced from PubChem (CID 21339171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).