About triphenylsilyl nitrite
triphenylsilyl nitrite (PubChem CID 87559816) has the molecular formula C18H15NO2Si
and a molecular weight of 305.41 g/mol. Its IUPAC name is triphenylsilyl nitrite.
Molecular Properties
| Compound Name | triphenylsilyl nitrite |
| PubChem CID | 87559816 |
| Molecular Formula | C18H15NO2Si |
| Molecular Weight | 305.41 g/mol |
| Exact Mass | 305.09 |
| IUPAC Name | triphenylsilyl nitrite |
| SMILES | O=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C18H15NO2Si/c20-19-21-22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H |
| InChIKey | PKJPXMOMKWBCOF-UHFFFAOYSA-N |
| XLogP | 2.35 |
| TPSA | 38.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 305.41 |
| LogP ≤ 5 | 2.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of triphenylsilyl nitrite?
The IUPAC name of triphenylsilyl nitrite (CID 87559816) is triphenylsilyl nitrite.
What is the SMILES notation for triphenylsilyl nitrite?
The canonical SMILES for triphenylsilyl nitrite is O=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylsilyl nitrite?
The InChIKey is PKJPXMOMKWBCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2Si/c20-19-21-22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of triphenylsilyl nitrite?
triphenylsilyl nitrite has a molecular weight of 305.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsilyl nitrite is sourced from PubChem (CID 87559816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).