About tributyl(tributylsilyloxy)silane
tributyl(tributylsilyloxy)silane (PubChem CID 627293) has the molecular formula C24H54OSi2
and a molecular weight of 414.87 g/mol. Its IUPAC name is tributyl(tributylsilyloxy)silane.
Molecular Properties
| Compound Name | tributyl(tributylsilyloxy)silane |
| PubChem CID | 627293 |
| Molecular Formula | C24H54OSi2 |
| Molecular Weight | 414.87 g/mol |
| Exact Mass | 414.37 |
| IUPAC Name | tributyl(tributylsilyloxy)silane |
| SMILES | CCCC[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)CCCC |
| InChI | InChI=1S/C24H54OSi2/c1-7-13-19-26(20-14-8-2,21-15-9-3)25-27(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3 |
| InChIKey | ILNLDQNOQQYETQ-UHFFFAOYSA-N |
| XLogP | 9.69 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 414.87 |
| LogP ≤ 5 | 9.69 |
| 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(tributylsilyloxy)silane?
The IUPAC name of tributyl(tributylsilyloxy)silane (CID 627293) is tributyl(tributylsilyloxy)silane.
What is the SMILES notation for tributyl(tributylsilyloxy)silane?
The canonical SMILES for tributyl(tributylsilyloxy)silane is CCCC[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(tributylsilyloxy)silane?
The InChIKey is ILNLDQNOQQYETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54OSi2/c1-7-13-19-26(20-14-8-2,21-15-9-3)25-27(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3.
What are the key properties of tributyl(tributylsilyloxy)silane?
tributyl(tributylsilyloxy)silane has a molecular weight of 414.87 g/mol, XLogP of 9.69, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(tributylsilyloxy)silane is sourced from PubChem (CID 627293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).