About tributyl(pyridin-4-yl)silane
tributyl(pyridin-4-yl)silane (PubChem CID 19887258) has the molecular formula C17H31NSi
and a molecular weight of 277.53 g/mol. Its IUPAC name is tributyl(pyridin-4-yl)silane.
Molecular Properties
| Compound Name | tributyl(pyridin-4-yl)silane |
| PubChem CID | 19887258 |
| Molecular Formula | C17H31NSi |
| Molecular Weight | 277.53 g/mol |
| Exact Mass | 277.22 |
| IUPAC Name | tributyl(pyridin-4-yl)silane |
| SMILES | CCCC[Si](CCCC)(CCCC)c1ccncc1 |
| InChI | InChI=1S/C17H31NSi/c1-4-7-14-19(15-8-5-2,16-9-6-3)17-10-12-18-13-11-17/h10-13H,4-9,14-16H2,1-3H3 |
| InChIKey | XBEQYIXFBURPFY-UHFFFAOYSA-N |
| XLogP | 5.14 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 277.53 |
| LogP ≤ 5 | 5.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 tributyl(pyridin-4-yl)silane?
The IUPAC name of tributyl(pyridin-4-yl)silane (CID 19887258) is tributyl(pyridin-4-yl)silane.
What is the SMILES notation for tributyl(pyridin-4-yl)silane?
The canonical SMILES for tributyl(pyridin-4-yl)silane is CCCC[Si](CCCC)(CCCC)c1ccncc1.
What is the InChIKey of tributyl(pyridin-4-yl)silane?
The InChIKey is XBEQYIXFBURPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NSi/c1-4-7-14-19(15-8-5-2,16-9-6-3)17-10-12-18-13-11-17/h10-13H,4-9,14-16H2,1-3H3.
What are the key properties of tributyl(pyridin-4-yl)silane?
tributyl(pyridin-4-yl)silane has a molecular weight of 277.53 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(pyridin-4-yl)silane is sourced from PubChem (CID 19887258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).