About [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide (PubChem CID 11228048) has the molecular formula C41H56IO2PSi
and a molecular weight of 766.86 g/mol. Its IUPAC name is [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide.
Molecular Properties
| Compound Name | [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide |
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| PubChem CID | 11228048 |
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| Molecular Formula | C41H56IO2PSi |
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| Molecular Weight | 766.86 g/mol |
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| Exact Mass | 766.28 |
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| IUPAC Name | [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide |
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| SMILES | CC(C)(C)[Si](C)(C)O[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1.[I-] |
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| InChI | InChI=1S/C41H56O2PSi.HI/c1-41(2,3)45(4,5)43-37(35-42-34-36-24-14-10-15-25-36)26-16-8-6-7-9-23-33-44(38-27-17-11-18-28-38,39-29-19-12-20-30-39)40-31-21-13-22-32-40;/h10-15,17-22,24-25,27-32,37H,6-9,16,23,26,33-35H2,1-5H3;1H/q+1;/p-1/t37-;/m1./s1 |
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| InChIKey | QJGZWOIGMAKIJD-GKEJWYBXSA-M |
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| XLogP | 7.32 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 18 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 766.86 |
| LogP ≤ 5 | 7.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
The IUPAC name of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide (CID 11228048) is [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide.
What is the SMILES notation for [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
The canonical SMILES for [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide is CC(C)(C)[Si](C)(C)O[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1.[I-].
What is the InChIKey of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
The InChIKey is QJGZWOIGMAKIJD-GKEJWYBXSA-M. The full InChI is InChI=1S/C41H56O2PSi.HI/c1-41(2,3)45(4,5)43-37(35-42-34-36-24-14-10-15-25-36)26-16-8-6-7-9-23-33-44(38-27-17-11-18-28-38,39-29-19-12-20-30-39)40-31-21-13-22-32-40;/h10-15,17-22,24-25,27-32,37H,6-9,16,23,26,33-35H2,1-5H3;1H/q+1;/p-1/t37-;/m1./s1.
What are the key properties of [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide?
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide has a molecular weight of 766.86 g/mol, XLogP of 7.32, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide is sourced from PubChem (CID 11228048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).