triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane

C32H56N4O6Si2+2 — CID 132558297

About triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane

triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane (PubChem CID 132558297) has the molecular formula C32H56N4O6Si2+2 and a molecular weight of 648.99 g/mol. Its IUPAC name is triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane.

Molecular Properties

• Compound Name: triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane
• PubChem CID: 132558297
• Molecular Formula: C32H56N4O6Si2+2
• Molecular Weight: 648.99 g/mol
• Exact Mass: 648.37
• IUPAC Name: triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane
• SMILES: CCO[Si](CCCn1cc[n+](Cc2ccccc2C[n+]2ccn(CCC[Si](OCC)(OCC)OCC)c2)c1)(OCC)OCC
• InChI: InChI=1S/C32H56N4O6Si2/c1-7-37-43(38-8-2,39-9-3)25-15-19-33-21-23-35(29-33)27-31-17-13-14-18-32(31)28-36-24-22-34(30-36)20-16-26-44(40-10-4,41-11-5)42-12-6/h13-14,17-18,21-24,29-30H,7-12,15-16,19-20,25-28H2,1-6H3/q+2
• InChIKey: LCGFZLJOTRTQHT-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 73.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	648.99
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane?

The IUPAC name of triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane (CID 132558297) is triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane.

What is the SMILES notation for triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane?

The canonical SMILES for triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane is CCO[Si](CCCn1cc[n+](Cc2ccccc2C[n+]2ccn(CCC[Si](OCC)(OCC)OCC)c2)c1)(OCC)OCC.

What is the InChIKey of triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane?

The InChIKey is LCGFZLJOTRTQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N4O6Si2/c1-7-37-43(38-8-2,39-9-3)25-15-19-33-21-23-35(29-33)27-31-17-13-14-18-32(31)28-36-24-22-34(30-36)20-16-26-44(40-10-4,41-11-5)42-12-6/h13-14,17-18,21-24,29-30H,7-12,15-16,19-20,25-28H2,1-6H3/q+2.

What are the key properties of triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane?

triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane has a molecular weight of 648.99 g/mol, XLogP of 4.84, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy-[3-[3-[[2-[[3-(3-triethoxysilylpropyl)imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-3-ium-1-yl]propyl]silane is sourced from PubChem (CID 132558297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).