2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium

C25H52NO7Si3+ — CID 58901099

About 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium

2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium (PubChem CID 58901099) has the molecular formula C25H52NO7Si3+ and a molecular weight of 562.95 g/mol. Its IUPAC name is 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium.

Molecular Properties

• Compound Name: 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium
• PubChem CID: 58901099
• Molecular Formula: C25H52NO7Si3+
• Molecular Weight: 562.95 g/mol
• Exact Mass: 562.30
• IUPAC Name: 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium
• SMILES: C=C(C)C(=O)OCC[Si](C)(C)O[Si](C)(CCCOCC[N+](C)(C)C)O[Si](C)(C)CCOC(=O)C(=C)C
• InChI: InChI=1S/C25H52NO7Si3/c1-22(2)24(27)30-17-20-34(8,9)32-36(12,19-13-15-29-16-14-26(5,6)7)33-35(10,11)21-18-31-25(28)23(3)4/h1,3,13-21H2,2,4-12H3/q+1
• InChIKey: UXMINMATSFWRDT-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.95
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium?

The IUPAC name of 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium (CID 58901099) is 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium.

What is the SMILES notation for 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium?

The canonical SMILES for 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium is C=C(C)C(=O)OCC[Si](C)(C)O[Si](C)(CCCOCC[N+](C)(C)C)O[Si](C)(C)CCOC(=O)C(=C)C.

What is the InChIKey of 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium?

The InChIKey is UXMINMATSFWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52NO7Si3/c1-22(2)24(27)30-17-20-34(8,9)32-36(12,19-13-15-29-16-14-26(5,6)7)33-35(10,11)21-18-31-25(28)23(3)4/h1,3,13-21H2,2,4-12H3/q+1.

What are the key properties of 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium?

2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium has a molecular weight of 562.95 g/mol, XLogP of 4.85, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[bis[[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]silyl]oxy]-methylsilyl]propoxy]ethyl-trimethylazanium is sourced from PubChem (CID 58901099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).