tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium

C27H64NO3Si3+ — CID 167595524

About tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium

tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium (PubChem CID 167595524) has the molecular formula C27H64NO3Si3+ and a molecular weight of 535.07 g/mol. Its IUPAC name is tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium.

Molecular Properties

• Compound Name: tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium
• PubChem CID: 167595524
• Molecular Formula: C27H64NO3Si3+
• Molecular Weight: 535.07 g/mol
• Exact Mass: 534.42
• IUPAC Name: tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium
• SMILES: CCCC[N+](CCCC)(CCCC)CCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC
• InChI: InChI=1S/C27H64NO3Si3/c1-11-15-20-28(21-16-12-2,22-17-13-3)23-25-29-24-19-27-33(7,8)31-34(9,10)30-32(5,6)26-18-14-4/h11-27H2,1-10H3/q+1
• InChIKey: XCQLDBVJVLQUJI-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 23
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.07
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium?

The IUPAC name of tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium (CID 167595524) is tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium.

What is the SMILES notation for tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium?

The canonical SMILES for tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium is CCCC[N+](CCCC)(CCCC)CCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC.

What is the InChIKey of tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium?

The InChIKey is XCQLDBVJVLQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H64NO3Si3/c1-11-15-20-28(21-16-12-2,22-17-13-3)23-25-29-24-19-27-33(7,8)31-34(9,10)30-32(5,6)26-18-14-4/h11-27H2,1-10H3/q+1.

What are the key properties of tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium?

tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium has a molecular weight of 535.07 g/mol, XLogP of 8.56, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tributyl-[2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl]azanium is sourced from PubChem (CID 167595524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).