About [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane
[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101236890) has the molecular formula C33H62O2Si3
and a molecular weight of 575.12 g/mol. Its IUPAC name is [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane.
Molecular Properties
| Compound Name | [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane |
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| PubChem CID | 101236890 |
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| Molecular Formula | C33H62O2Si3 |
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| Molecular Weight | 575.12 g/mol |
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| Exact Mass | 574.41 |
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| IUPAC Name | [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane |
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| SMILES | CC(C)(C)C1=C(C(C)(C)C)[Si](O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C1=C1C2CC3CC(C2)CC1C3 |
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| InChI | InChI=1S/C33H62O2Si3/c1-30(2,3)27-28(26-24-18-22-17-23(20-24)21-25(26)19-22)38(29(27)31(4,5)6,34-36(13,14)32(7,8)9)35-37(15,16)33(10,11)12/h22-25H,17-21H2,1-16H3/b28-26- |
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| InChIKey | CXOYJGCARZGGLG-SGEDCAFJSA-N |
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| XLogP | 10.71 |
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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 | 4 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 575.12 |
| LogP ≤ 5 | 10.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane (CID 101236890) is [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)C1=C(C(C)(C)C)[Si](O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C1=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CXOYJGCARZGGLG-SGEDCAFJSA-N. The full InChI is InChI=1S/C33H62O2Si3/c1-30(2,3)27-28(26-24-18-22-17-23(20-24)21-25(26)19-22)38(29(27)31(4,5)6,34-36(13,14)32(7,8)9)35-37(15,16)33(10,11)12/h22-25H,17-21H2,1-16H3/b28-26-.
What are the key properties of [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane?
[2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 575.12 g/mol, XLogP of 10.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-adamantylidene)-3,4-ditert-butyl-1-[tert-butyl(dimethyl)silyl]oxysilet-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101236890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).