triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane

C28H50N2O6Si2+2 — CID 102388742

About triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane

triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane (PubChem CID 102388742) has the molecular formula C28H50N2O6Si2+2 and a molecular weight of 566.89 g/mol. Its IUPAC name is triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane.

Molecular Properties

• Compound Name: triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane
• PubChem CID: 102388742
• Molecular Formula: C28H50N2O6Si2+2
• Molecular Weight: 566.89 g/mol
• Exact Mass: 566.32
• IUPAC Name: triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane
• SMILES: CCO[Si](CCC[n+]1ccc(-c2cc[n+](CCC[Si](OCC)(OCC)OCC)cc2)cc1)(OCC)OCC
• InChI: InChI=1S/C28H50N2O6Si2/c1-7-31-37(32-8-2,33-9-3)25-13-19-29-21-15-27(16-22-29)28-17-23-30(24-18-28)20-14-26-38(34-10-4,35-11-5)36-12-6/h15-18,21-24H,7-14,19-20,25-26H2,1-6H3/q+2
• InChIKey: QWSRZYVPMCUYGT-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 63.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.89
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane?

The IUPAC name of triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane (CID 102388742) is triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane.

What is the SMILES notation for triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane?

The canonical SMILES for triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane is CCO[Si](CCC[n+]1ccc(-c2cc[n+](CCC[Si](OCC)(OCC)OCC)cc2)cc1)(OCC)OCC.

What is the InChIKey of triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane?

The InChIKey is QWSRZYVPMCUYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N2O6Si2/c1-7-31-37(32-8-2,33-9-3)25-13-19-29-21-15-27(16-22-29)28-17-23-30(24-18-28)20-14-26-38(34-10-4,35-11-5)36-12-6/h15-18,21-24H,7-14,19-20,25-26H2,1-6H3/q+2.

What are the key properties of triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane?

triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane has a molecular weight of 566.89 g/mol, XLogP of 4.81, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane is sourced from PubChem (CID 102388742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).