About [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane
[2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane (PubChem CID 11273459) has the molecular formula C30H60OSi6
and a molecular weight of 605.33 g/mol. Its IUPAC name is [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane.
Molecular Properties
| Compound Name | [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane |
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| PubChem CID | 11273459 |
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| Molecular Formula | C30H60OSi6 |
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| Molecular Weight | 605.33 g/mol |
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| Exact Mass | 604.33 |
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| IUPAC Name | [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane |
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| SMILES | C[Si](C)(C)C#CC1=C([Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)C1(O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2 |
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| InChI | InChI=1S/C30H60OSi6/c1-32(2,3)17-16-27-28(33(4,5)6)37(35(10,11)12,36(13,14)15)30(27,31-34(7,8)9)29-21-24-18-25(22-29)20-26(19-24)23-29/h24-26H,18-23H2,1-15H3 |
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| InChIKey | ILQMARPBLDJYLT-UHFFFAOYSA-N |
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| XLogP | 9.22 |
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| TPSA | 9.23 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 605.33 |
| LogP ≤ 5 | 9.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane?
The IUPAC name of [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane (CID 11273459) is [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane.
What is the SMILES notation for [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane?
The canonical SMILES for [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane is C[Si](C)(C)C#CC1=C([Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)C1(O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane?
The InChIKey is ILQMARPBLDJYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60OSi6/c1-32(2,3)17-16-27-28(33(4,5)6)37(35(10,11)12,36(13,14)15)30(27,31-34(7,8)9)29-21-24-18-25(22-29)20-26(19-24)23-29/h24-26H,18-23H2,1-15H3.
What are the key properties of [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane?
[2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane has a molecular weight of 605.33 g/mol, XLogP of 9.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-1,4-bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)-2-trimethylsilyloxysilet-1-yl]-trimethylsilane is sourced from PubChem (CID 11273459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).