About ethoxy-methyl-(2,2,2-trichloroethylidene)silane
ethoxy-methyl-(2,2,2-trichloroethylidene)silane (PubChem CID 91479556) has the molecular formula C5H9Cl3OSi
and a molecular weight of 219.57 g/mol. Its IUPAC name is ethoxy-methyl-(2,2,2-trichloroethylidene)silane.
Molecular Properties
| Compound Name | ethoxy-methyl-(2,2,2-trichloroethylidene)silane |
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| PubChem CID | 91479556 |
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| Molecular Formula | C5H9Cl3OSi |
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| Molecular Weight | 219.57 g/mol |
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| Exact Mass | 217.95 |
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| IUPAC Name | ethoxy-methyl-(2,2,2-trichloroethylidene)silane |
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| SMILES | CCO[Si](C)=CC(Cl)(Cl)Cl |
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| InChI | InChI=1S/C5H9Cl3OSi/c1-3-9-10(2)4-5(6,7)8/h4H,3H2,1-2H3 |
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| InChIKey | RZRCKJBRGQKQSC-UHFFFAOYSA-N |
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| XLogP | 2.40 |
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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 | 2 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 219.57 |
| LogP ≤ 5 | 2.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethoxy-methyl-(2,2,2-trichloroethylidene)silane?
The IUPAC name of ethoxy-methyl-(2,2,2-trichloroethylidene)silane (CID 91479556) is ethoxy-methyl-(2,2,2-trichloroethylidene)silane.
What is the SMILES notation for ethoxy-methyl-(2,2,2-trichloroethylidene)silane?
The canonical SMILES for ethoxy-methyl-(2,2,2-trichloroethylidene)silane is CCO[Si](C)=CC(Cl)(Cl)Cl.
What is the InChIKey of ethoxy-methyl-(2,2,2-trichloroethylidene)silane?
The InChIKey is RZRCKJBRGQKQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl3OSi/c1-3-9-10(2)4-5(6,7)8/h4H,3H2,1-2H3.
What are the key properties of ethoxy-methyl-(2,2,2-trichloroethylidene)silane?
ethoxy-methyl-(2,2,2-trichloroethylidene)silane has a molecular weight of 219.57 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-(2,2,2-trichloroethylidene)silane is sourced from PubChem (CID 91479556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).