About [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane
[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane (PubChem CID 139240269) has the molecular formula C16H30BClSi2
and a molecular weight of 324.85 g/mol. Its IUPAC name is [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane.
Molecular Properties
| Compound Name | [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane |
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| PubChem CID | 139240269 |
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| Molecular Formula | C16H30BClSi2 |
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| Molecular Weight | 324.85 g/mol |
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| Exact Mass | 324.17 |
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| IUPAC Name | [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane |
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| SMILES | C[Si](C)(C)C1=C(B2C3CCCC2CCC3)CC[Si]1(C)Cl |
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| InChI | InChI=1S/C16H30BClSi2/c1-19(2,3)16-15(11-12-20(16,4)18)17-13-7-5-8-14(17)10-6-9-13/h13-14H,5-12H2,1-4H3 |
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| InChIKey | KXKJWLUMFDQOSO-UHFFFAOYSA-N |
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| XLogP | 6.06 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 20 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 324.85 |
| LogP ≤ 5 | 6.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane?
The IUPAC name of [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane (CID 139240269) is [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane.
What is the SMILES notation for [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane?
The canonical SMILES for [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane is C[Si](C)(C)C1=C(B2C3CCCC2CCC3)CC[Si]1(C)Cl.
What is the InChIKey of [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane?
The InChIKey is KXKJWLUMFDQOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BClSi2/c1-19(2,3)16-15(11-12-20(16,4)18)17-13-7-5-8-14(17)10-6-9-13/h13-14H,5-12H2,1-4H3.
What are the key properties of [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane?
[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane has a molecular weight of 324.85 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane is sourced from PubChem (CID 139240269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).