About [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane
[1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane (PubChem CID 57125794) has the molecular formula C38H47N3O2Si2
and a molecular weight of 633.99 g/mol. Its IUPAC name is [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane.
Molecular Properties
| Compound Name | [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane |
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| PubChem CID | 57125794 |
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| Molecular Formula | C38H47N3O2Si2 |
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| Molecular Weight | 633.99 g/mol |
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| Exact Mass | 633.32 |
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| IUPAC Name | [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane |
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| SMILES | CC(C)C[Si](OCC1CC(CO[Si](CC(C)C)(c2ccccc2)c2ccccc2)(N=[N+]=[N-])C1)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C38H47N3O2Si2/c1-31(2)28-44(34-17-9-5-10-18-34,35-19-11-6-12-20-35)42-27-33-25-38(26-33,40-41-39)30-43-45(29-32(3)4,36-21-13-7-14-22-36)37-23-15-8-16-24-37/h5-24,31-33H,25-30H2,1-4H3 |
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| InChIKey | UQXKGZCOEIWGQY-UHFFFAOYSA-N |
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| XLogP | 7.31 |
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| TPSA | 67.22 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 633.99 |
| LogP ≤ 5 | 7.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane?
The IUPAC name of [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane (CID 57125794) is [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane.
What is the SMILES notation for [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane?
The canonical SMILES for [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane is CC(C)C[Si](OCC1CC(CO[Si](CC(C)C)(c2ccccc2)c2ccccc2)(N=[N+]=[N-])C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane?
The InChIKey is UQXKGZCOEIWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N3O2Si2/c1-31(2)28-44(34-17-9-5-10-18-34,35-19-11-6-12-20-35)42-27-33-25-38(26-33,40-41-39)30-43-45(29-32(3)4,36-21-13-7-14-22-36)37-23-15-8-16-24-37/h5-24,31-33H,25-30H2,1-4H3.
What are the key properties of [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane?
[1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane has a molecular weight of 633.99 g/mol, XLogP of 7.31, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane is sourced from PubChem (CID 57125794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).