About [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate
[2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate (PubChem CID 20670162) has the molecular formula C18H47NO15Si6
and a molecular weight of 686.08 g/mol. Its IUPAC name is [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate.
Molecular Properties
| Compound Name | [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate |
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| PubChem CID | 20670162 |
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| Molecular Formula | C18H47NO15Si6 |
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| Molecular Weight | 686.08 g/mol |
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| Exact Mass | 685.16 |
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| IUPAC Name | [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate |
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| SMILES | CO[Si](C)(OC)O[Si](CC[Si](OC)(OC)OC)(OC)O[Si](C)(OC)O[Si](OC)(OC)O[Si](CCC#N)(OC)OC |
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| InChI | InChI=1S/C18H47NO15Si6/c1-20-35(12,21-2)31-39(28-9,18-17-37(23-4,24-5)25-6)32-36(13,22-3)33-40(29-10,30-11)34-38(26-7,27-8)16-14-15-19/h14,16-18H2,1-13H3 |
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| InChIKey | QHVINFAJUXOZIX-UHFFFAOYSA-N |
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| XLogP | 1.47 |
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| TPSA | 162.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 24 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 686.08 |
| LogP ≤ 5 | 1.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate?
The IUPAC name of [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate (CID 20670162) is [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate.
What is the SMILES notation for [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate?
The canonical SMILES for [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate is CO[Si](C)(OC)O[Si](CC[Si](OC)(OC)OC)(OC)O[Si](C)(OC)O[Si](OC)(OC)O[Si](CCC#N)(OC)OC.
What is the InChIKey of [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate?
The InChIKey is QHVINFAJUXOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H47NO15Si6/c1-20-35(12,21-2)31-39(28-9,18-17-37(23-4,24-5)25-6)32-36(13,22-3)33-40(29-10,30-11)34-38(26-7,27-8)16-14-15-19/h14,16-18H2,1-13H3.
What are the key properties of [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate?
[2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate has a molecular weight of 686.08 g/mol, XLogP of 1.47, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoethyl(dimethoxy)silyl] [[[dimethoxy(methyl)silyl]oxy-methoxy-(2-trimethoxysilylethyl)silyl]oxy-methoxy-methylsilyl] dimethyl silicate is sourced from PubChem (CID 20670162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).