About cyclohexyl-methoxy-phenoxysilane
cyclohexyl-methoxy-phenoxysilane (PubChem CID 154003975) has the molecular formula C13H20O2Si
and a molecular weight of 236.39 g/mol. Its IUPAC name is cyclohexyl-methoxy-phenoxysilane.
Molecular Properties
| Compound Name | cyclohexyl-methoxy-phenoxysilane |
|---|
| PubChem CID | 154003975 |
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| Molecular Formula | C13H20O2Si |
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| Molecular Weight | 236.39 g/mol |
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| Exact Mass | 236.12 |
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| IUPAC Name | cyclohexyl-methoxy-phenoxysilane |
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| SMILES | CO[SiH](Oc1ccccc1)C1CCCCC1 |
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| InChI | InChI=1S/C13H20O2Si/c1-14-16(13-10-6-3-7-11-13)15-12-8-4-2-5-9-12/h2,4-5,8-9,13,16H,3,6-7,10-11H2,1H3 |
|---|
| InChIKey | LBRFTFYSOCMUGB-UHFFFAOYSA-N |
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| XLogP | 3.27 |
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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 | 4 |
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| Heavy Atoms | 16 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 236.39 |
| LogP ≤ 5 | 3.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cyclohexyl-methoxy-phenoxysilane?
The IUPAC name of cyclohexyl-methoxy-phenoxysilane (CID 154003975) is cyclohexyl-methoxy-phenoxysilane.
What is the SMILES notation for cyclohexyl-methoxy-phenoxysilane?
The canonical SMILES for cyclohexyl-methoxy-phenoxysilane is CO[SiH](Oc1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-methoxy-phenoxysilane?
The InChIKey is LBRFTFYSOCMUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2Si/c1-14-16(13-10-6-3-7-11-13)15-12-8-4-2-5-9-12/h2,4-5,8-9,13,16H,3,6-7,10-11H2,1H3.
What are the key properties of cyclohexyl-methoxy-phenoxysilane?
cyclohexyl-methoxy-phenoxysilane has a molecular weight of 236.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methoxy-phenoxysilane is sourced from PubChem (CID 154003975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).