[4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium

C20H54N3O7Si4+3 — CID 22165010

About [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium

[4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium (PubChem CID 22165010) has the molecular formula C20H54N3O7Si4+3 and a molecular weight of 561.01 g/mol. Its IUPAC name is [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium.

Molecular Properties

• Compound Name: [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium
• PubChem CID: 22165010
• Molecular Formula: C20H54N3O7Si4+3
• Molecular Weight: 561.01 g/mol
• Exact Mass: 560.30
• IUPAC Name: [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium
• SMILES: CCCC[Si]1(C)O[Si](C)([N+](O)(CC)CC)O[Si](C)([N+](O)(CC)CC)O[Si](C)([N+](O)(CC)CC)O1
• InChI: InChI=1S/C20H54N3O7Si4/c1-12-19-20-31(8)27-32(9,21(24,13-2)14-3)29-34(11,23(26,17-6)18-7)30-33(10,28-31)22(25,15-4)16-5/h24-26H,12-20H2,1-11H3/q+3
• InChIKey: WQSICRZDSKELFL-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 97.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.01
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium?

The IUPAC name of [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium (CID 22165010) is [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium.

What is the SMILES notation for [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium?

The canonical SMILES for [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium is CCCC[Si]1(C)O[Si](C)([N+](O)(CC)CC)O[Si](C)([N+](O)(CC)CC)O[Si](C)([N+](O)(CC)CC)O1.

What is the InChIKey of [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium?

The InChIKey is WQSICRZDSKELFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H54N3O7Si4/c1-12-19-20-31(8)27-32(9,21(24,13-2)14-3)29-34(11,23(26,17-6)18-7)30-33(10,28-31)22(25,15-4)16-5/h24-26H,12-20H2,1-11H3/q+3.

What are the key properties of [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium?

[4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium has a molecular weight of 561.01 g/mol, XLogP of 4.38, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-butyl-6,8-bis[diethyl(hydroxy)azaniumyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]-diethyl-hydroxyazanium is sourced from PubChem (CID 22165010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).