About chlorodimethylallylsilane
chlorodimethylallylsilane (PubChem CID 87088868) has the molecular formula C5H9ClSi
and a molecular weight of 132.67 g/mol.
Molecular Properties
| Compound Name | chlorodimethylallylsilane |
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| PubChem CID | 87088868 |
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| Molecular Formula | C5H9ClSi |
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| Molecular Weight | 132.67 g/mol |
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| Exact Mass | 132.02 |
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| IUPAC Name | — |
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| SMILES | CC(C)=CC[Si]Cl |
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| InChI | InChI=1S/C5H9ClSi/c1-5(2)3-4-7-6/h3H,4H2,1-2H3 |
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| InChIKey | KRJMEPCIZOGAST-UHFFFAOYSA-N |
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| XLogP | 2.23 |
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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 | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 132.67 |
| LogP ≤ 5 | 2.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of chlorodimethylallylsilane?
The IUPAC name of chlorodimethylallylsilane (CID 87088868) is not available.
What is the SMILES notation for chlorodimethylallylsilane?
The canonical SMILES for chlorodimethylallylsilane is CC(C)=CC[Si]Cl.
What is the InChIKey of chlorodimethylallylsilane?
The InChIKey is KRJMEPCIZOGAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClSi/c1-5(2)3-4-7-6/h3H,4H2,1-2H3.
What are the key properties of chlorodimethylallylsilane?
chlorodimethylallylsilane has a molecular weight of 132.67 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorodimethylallylsilane is sourced from PubChem (CID 87088868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).