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

C32H74BKO13Si2 — CID 139243285

IUPACpotassium;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
SMILESCOCCOCCOCCOCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCOCCOCCOCCOCCOC.[BH4-].[K+]
InChIInChI=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
InChIKeyCILAODBFGQCYDB-UHFFFAOYSA-N
MW773.01 g/mol
LogP-0.80
Rot. Bonds40

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 Namepotassium;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 CID139243285
Molecular FormulaC32H74BKO13Si2
Molecular Weight773.01 g/mol
Exact Mass772.44
IUPAC Namepotassium;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
SMILESCOCCOCCOCCOCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCOCCOCCOCCOCCOC.[BH4-].[K+]
InChIInChI=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
InChIKeyCILAODBFGQCYDB-UHFFFAOYSA-N
XLogP-0.80
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds40
Heavy Atoms49
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.01
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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).