About ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane
ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane (PubChem CID 11378319) has the molecular formula C53H110O27Si
and a molecular weight of 1207.52 g/mol. Its IUPAC name is ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane.
Molecular Properties
| Compound Name | ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane |
| PubChem CID | 11378319 |
| Molecular Formula | C53H110O27Si |
| Molecular Weight | 1207.52 g/mol |
| Exact Mass | 1206.70 |
| IUPAC Name | ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane |
| SMILES | CC[Si](OCCOCCOCCOCCOCCOCCOCCOCCOC)(OCCOCCOCCOCCOCCOCCOCCOCCOC)OCCOCCOCCOCCOCCOCCOCCOCCOC |
| InChI | InChI=1S/C53H110O27Si/c1-5-81(78-51-48-75-45-42-72-39-36-69-33-30-66-27-24-63-21-18-60-15-12-57-9-6-54-2,79-52-49-76-46-43-73-40-37-70-34-31-67-28-25-64-22-19-61-16-13-58-10-7-55-3)80-53-50-77-47-44-74-41-38-71-35-32-68-29-26-65-23-20-62-17-14-59-11-8-56-4/h5-53H2,1-4H3 |
| InChIKey | CBTCVYOZOQZUIR-UHFFFAOYSA-N |
| XLogP | 1.28 |
| TPSA | 249.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 76 |
| Heavy Atoms | 81 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 1207.52 |
| LogP ≤ 5 | 1.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?
The IUPAC name of ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane (CID 11378319) is ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane.
What is the SMILES notation for ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?
The canonical SMILES for ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane is CC[Si](OCCOCCOCCOCCOCCOCCOCCOCCOC)(OCCOCCOCCOCCOCCOCCOCCOCCOC)OCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?
The InChIKey is CBTCVYOZOQZUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H110O27Si/c1-5-81(78-51-48-75-45-42-72-39-36-69-33-30-66-27-24-63-21-18-60-15-12-57-9-6-54-2,79-52-49-76-46-43-73-40-37-70-34-31-67-28-25-64-22-19-61-16-13-58-10-7-55-3)80-53-50-77-47-44-74-41-38-71-35-32-68-29-26-65-23-20-62-17-14-59-11-8-56-4/h5-53H2,1-4H3.
What are the key properties of ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?
ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane has a molecular weight of 1207.52 g/mol, XLogP of 1.28, 76 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-tris[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane is sourced from PubChem (CID 11378319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).