About 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (PubChem CID 171748188) has the molecular formula C24H44O2Si3
and a molecular weight of 448.87 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.
Molecular Properties
| Compound Name | 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane |
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| PubChem CID | 171748188 |
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| Molecular Formula | C24H44O2Si3 |
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| Molecular Weight | 448.87 g/mol |
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| Exact Mass | 448.26 |
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| IUPAC Name | 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane |
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| SMILES | CC(C1CC2C=CC1C2)[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC1CC2C=CC1C2 |
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| InChI | InChI=1S/C24H44O2Si3/c1-18(24-17-20-9-11-23(24)16-20)28(4,5)26-29(6,7)25-27(2,3)13-12-22-15-19-8-10-21(22)14-19/h8-11,18-24H,12-17H2,1-7H3 |
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| InChIKey | LYPWZBNFKZOCJC-UHFFFAOYSA-N |
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| XLogP | 7.34 |
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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 | 9 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 448.87 |
| LogP ≤ 5 | 7.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Analyze 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane (CID 171748188) is 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is CC(C1CC2C=CC1C2)[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is LYPWZBNFKZOCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2Si3/c1-18(24-17-20-9-11-23(24)16-20)28(4,5)26-29(6,7)25-27(2,3)13-12-22-15-19-8-10-21(22)14-19/h8-11,18-24H,12-17H2,1-7H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane?
1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 448.87 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 171748188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).