sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate

C52H99F3NNaO18S2Si2 — CID 164966003

About sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate

sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate (PubChem CID 164966003) has the molecular formula C52H99F3NNaO18S2Si2 and a molecular weight of 1226.64 g/mol. Its IUPAC name is sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate.

Molecular Properties

• Compound Name: sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
• PubChem CID: 164966003
• Molecular Formula: C52H99F3NNaO18S2Si2
• Molecular Weight: 1226.64 g/mol
• Exact Mass: 1225.57
• IUPAC Name: sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
• SMILES: CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Na+]
• InChI: InChI=1S/C24H48O11.C17H38O3Si2.C11H13F3NO4S2.Na/c1-4-23(2)24(25)35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-8-7-27-6-5-26-3;1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-3-8(2)9-4-6-10(7-5-9)20(16,17)15-21(18,19)11(12,13)14;/h23H,4-22H2,1-3H3;9-15H2,1-8H3;4-8H,3H2,1-2H3;/q;;-1;+1
• InChIKey: RMCPFCNCZXLYNK-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 227.28 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 45
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.64
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?

The IUPAC name of sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate (CID 164966003) is sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate.

What is the SMILES notation for sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?

The canonical SMILES for sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate is CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC.CCC(C)c1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)CC.[Na+].

What is the InChIKey of sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?

The InChIKey is RMCPFCNCZXLYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O11.C17H38O3Si2.C11H13F3NO4S2.Na/c1-4-23(2)24(25)35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-8-7-27-6-5-26-3;1-9-11-14-21(5,6)20-22(7,8)15-12-13-19-16(18)17(3,4)10-2;1-3-8(2)9-4-6-10(7-5-9)20(16,17)15-21(18,19)11(12,13)14;/h23H,4-22H2,1-3H3;9-15H2,1-8H3;4-8H,3H2,1-2H3;/q;;-1;+1.

What are the key properties of sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate?

sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate has a molecular weight of 1226.64 g/mol, XLogP of 7.05, 45 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(4-butan-2-ylphenyl)sulfonyl-(trifluoromethylsulfonyl)azanide;3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2,2-dimethylbutanoate;2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate is sourced from PubChem (CID 164966003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).