About tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane
tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane (PubChem CID 10791322) has the molecular formula C27H52O2Si3
and a molecular weight of 492.97 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane.
Molecular Properties
| Compound Name | tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane |
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| PubChem CID | 10791322 |
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| Molecular Formula | C27H52O2Si3 |
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| Molecular Weight | 492.97 g/mol |
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| Exact Mass | 492.33 |
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| IUPAC Name | tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane |
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| SMILES | CCCCCC(O[Si](C)(C)C(C)(C)C)/C(C#C[Si](C)(C)C)=C/C1C=C(O[Si](C)(C)C)CC1 |
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| InChI | InChI=1S/C27H52O2Si3/c1-13-14-15-16-26(29-32(11,12)27(2,3)4)24(19-20-30(5,6)7)21-23-17-18-25(22-23)28-31(8,9)10/h21-23,26H,13-18H2,1-12H3/b24-21+ |
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| InChIKey | PDPMWULMIOAOEO-DARPEHSRSA-N |
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| XLogP | 8.91 |
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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 | 10 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 492.97 |
| LogP ≤ 5 | 8.91 |
| 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': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane (CID 10791322) is tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane is CCCCCC(O[Si](C)(C)C(C)(C)C)/C(C#C[Si](C)(C)C)=C/C1C=C(O[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane?
The InChIKey is PDPMWULMIOAOEO-DARPEHSRSA-N. The full InChI is InChI=1S/C27H52O2Si3/c1-13-14-15-16-26(29-32(11,12)27(2,3)4)24(19-20-30(5,6)7)21-23-17-18-25(22-23)28-31(8,9)10/h21-23,26H,13-18H2,1-12H3/b24-21+.
What are the key properties of tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane has a molecular weight of 492.97 g/mol, XLogP of 8.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E)-1-trimethylsilyl-3-[(3-trimethylsilyloxycyclopent-2-en-1-yl)methylidene]non-1-yn-4-yl]oxysilane is sourced from PubChem (CID 10791322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).