About 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium
3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium (PubChem CID 58129691) has the molecular formula C25H60NO5Si3+
and a molecular weight of 539.02 g/mol. Its IUPAC name is 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium.
Molecular Properties
| Compound Name | 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium |
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| PubChem CID | 58129691 |
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| Molecular Formula | C25H60NO5Si3+ |
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| Molecular Weight | 539.02 g/mol |
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| Exact Mass | 538.38 |
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| IUPAC Name | 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium |
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| SMILES | COCCOCCOCC[N+](C)(C)CCC[Si](C)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C25H60NO5Si3/c1-24(2,3)32(10,11)30-34(14,31-33(12,13)25(4,5)6)23-15-16-26(7,8)17-18-28-21-22-29-20-19-27-9/h15-23H2,1-14H3/q+1 |
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| InChIKey | OJXWHHJGCLSKGR-UHFFFAOYSA-N |
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| XLogP | 6.25 |
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| TPSA | 46.15 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 539.02 |
| LogP ≤ 5 | 6.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
The IUPAC name of 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium (CID 58129691) is 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium.
What is the SMILES notation for 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
The canonical SMILES for 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium is COCCOCCOCC[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]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
The InChIKey is OJXWHHJGCLSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H60NO5Si3/c1-24(2,3)32(10,11)30-34(14,31-33(12,13)25(4,5)6)23-15-16-26(7,8)17-18-28-21-22-29-20-19-27-9/h15-23H2,1-14H3/q+1.
What are the key properties of 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium?
3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium has a molecular weight of 539.02 g/mol, XLogP of 6.25, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-dimethylazanium is sourced from PubChem (CID 58129691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).