About 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium
8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium (PubChem CID 162460320) has the molecular formula C29H67O9Si5+
and a molecular weight of 700.28 g/mol. Its IUPAC name is 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium.
Molecular Properties
| Compound Name | 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium |
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| PubChem CID | 162460320 |
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| Molecular Formula | C29H67O9Si5+ |
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| Molecular Weight | 700.28 g/mol |
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| Exact Mass | 699.36 |
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| IUPAC Name | 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium |
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| SMILES | [H]/[O+]=C/CCCCCCCOCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C |
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| InChI | InChI=1S/C29H66O9Si5/c1-39(2,3)35-41(7,8)37-43(10,26-17-21-32-24-23-31-20-16-14-12-11-13-15-19-30)38-42(9,36-40(4,5)6)25-18-22-33-27-29-28-34-29/h19,29H,11-18,20-28H2,1-10H3/p+1 |
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| InChIKey | GLGFCNCJHAJNMT-UHFFFAOYSA-O |
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| XLogP | 7.31 |
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| TPSA | 98.54 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 29 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 700.28 |
| LogP ≤ 5 | 7.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Analyze 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium with MolForge
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Frequently Asked Questions
What is the IUPAC name of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium?
The IUPAC name of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium (CID 162460320) is 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium.
What is the SMILES notation for 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium?
The canonical SMILES for 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium is [H]/[O+]=C/CCCCCCCOCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C.
What is the InChIKey of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium?
The InChIKey is GLGFCNCJHAJNMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H66O9Si5/c1-39(2,3)35-41(7,8)37-43(10,26-17-21-32-24-23-31-20-16-14-12-11-13-15-19-30)38-42(9,36-40(4,5)6)25-18-22-33-27-29-28-34-29/h19,29H,11-18,20-28H2,1-10H3/p+1.
What are the key properties of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium?
8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium has a molecular weight of 700.28 g/mol, XLogP of 7.31, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium is sourced from PubChem (CID 162460320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).