3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane

C47H116ClN2O8Si6+ — CID 161449779

About 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane

3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane (PubChem CID 161449779) has the molecular formula C47H116ClN2O8Si6+ and a molecular weight of 1041.42 g/mol. Its IUPAC name is 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane.

Molecular Properties

• Compound Name: 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane
• PubChem CID: 161449779
• Molecular Formula: C47H116ClN2O8Si6+
• Molecular Weight: 1041.42 g/mol
• Exact Mass: 1039.70
• IUPAC Name: 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane
• SMILES: C.CN(C)CCC[Si](C)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.COCCOCCOCCCl.COCC[N+](C)(C)CCC[Si](C)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H52NO3Si3.C18H45NO2Si3.C7H15ClO3.CH4/c1-20(2,3)26(10,11)24-28(14,25-27(12,13)21(4,5)6)19-15-16-22(7,8)17-18-23-9;1-17(2,3)22(9,10)20-24(13,16-14-15-19(7)8)21-23(11,12)18(4,5)6;1-9-4-5-11-7-6-10-3-2-8;/h15-19H2,1-14H3;14-16H2,1-13H3;2-7H2,1H3;1H4/q+1
• InChIKey: WAJLEAFLRZLKOP-UHFFFAOYSA-N
• XLogP: 13.81
• TPSA: 77.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.42
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane?

The IUPAC name of 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane (CID 161449779) is 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane.

What is the SMILES notation for 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane?

The canonical SMILES for 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane is C.CN(C)CCC[Si](C)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.COCCOCCOCCCl.COCC[N+](C)(C)CCC[Si](C)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane?

The InChIKey is WAJLEAFLRZLKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H52NO3Si3.C18H45NO2Si3.C7H15ClO3.CH4/c1-20(2,3)26(10,11)24-28(14,25-27(12,13)21(4,5)6)19-15-16-22(7,8)17-18-23-9;1-17(2,3)22(9,10)20-24(13,16-14-15-19(7)8)21-23(11,12)18(4,5)6;1-9-4-5-11-7-6-10-3-2-8;/h15-19H2,1-14H3;14-16H2,1-13H3;2-7H2,1H3;1H4/q+1;;;.

What are the key properties of 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane?

3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane has a molecular weight of 1041.42 g/mol, XLogP of 13.81, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]-N,N-dimethylpropan-1-amine;3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-(2-methoxyethyl)-dimethylazanium;1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane;methane is sourced from PubChem (CID 161449779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).