About potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane
potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane (PubChem CID 139243285) has the molecular formula C32H74BKO13Si2
and a molecular weight of 773.01 g/mol. Its IUPAC name is potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane.
Molecular Properties
| Compound Name | potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane |
| PubChem CID | 139243285 |
| Molecular Formula | C32H74BKO13Si2 |
| Molecular Weight | 773.01 g/mol |
| Exact Mass | 772.44 |
| IUPAC Name | potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane |
| SMILES | COCCOCCOCCOCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCOCCOCCOCCOCCOC.[BH4-].[K+] |
| InChI | InChI=1S/C32H70O13Si2.BH4.K/c1-33-11-13-37-19-21-41-27-29-43-25-23-39-17-15-35-9-7-31-46(3,4)45-47(5,6)32-8-10-36-16-18-40-24-26-44-30-28-42-22-20-38-14-12-34-2;;/h7-32H2,1-6H3;1H4;/q;-1;+1 |
| InChIKey | CILAODBFGQCYDB-UHFFFAOYSA-N |
| XLogP | -0.80 |
| TPSA | 119.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 49 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 773.01 |
| LogP ≤ 5 | -0.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
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 potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane (CID 139243285) is potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane is COCCOCCOCCOCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCOCCOCCOCCOCCOC.[BH4-].[K+].
What is the InChIKey of potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is CILAODBFGQCYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H70O13Si2.BH4.K/c1-33-11-13-37-19-21-41-27-29-43-25-23-39-17-15-35-9-7-31-46(3,4)45-47(5,6)32-8-10-36-16-18-40-24-26-44-30-28-42-22-20-38-14-12-34-2;;/h7-32H2,1-6H3;1H4;/q;-1;+1.
What are the key properties of potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane?
potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 773.01 g/mol, XLogP of -0.80, 40 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;boranuide;3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 139243285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).