About 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium;formaldehyde
8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium;formaldehyde (PubChem CID 159743130) has the molecular formula C35H79O15Si5+
and a molecular weight of 880.43 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;formaldehyde.
Molecular Properties
| Compound Name | 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium;formaldehyde |
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| PubChem CID | 159743130 |
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| Molecular Formula | C35H79O15Si5+ |
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| Molecular Weight | 880.43 g/mol |
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| Exact Mass | 879.43 |
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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;formaldehyde |
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| SMILES | C=O.C=O.C=O.C=O.C=O.C=O.[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/C29H66O9Si5.6CH2O/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;6*1-2/h19,29H,11-18,20-28H2,1-10H3;6*1H2/p+1 |
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| InChIKey | QEYWPFBFNFXZOQ-UHFFFAOYSA-O |
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| XLogP | 6.20 |
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| TPSA | 200.96 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 29 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 880.43 |
| LogP ≤ 5 | 6.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
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;formaldehyde 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;formaldehyde?
The IUPAC name of 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium;formaldehyde (CID 159743130) is 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium;formaldehyde.
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;formaldehyde?
The canonical SMILES for 8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium;formaldehyde is C=O.C=O.C=O.C=O.C=O.C=O.[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;formaldehyde?
The InChIKey is QEYWPFBFNFXZOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H66O9Si5.6CH2O/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;6*1-2/h19,29H,11-18,20-28H2,1-10H3;6*1H2/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;formaldehyde?
8-[2-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl]propoxy]ethoxy]octylideneoxidanium;formaldehyde has a molecular weight of 880.43 g/mol, XLogP of 6.20, 29 rotatable bonds, 0 hydrogen bond donors, and 14 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;formaldehyde is sourced from PubChem (CID 159743130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).