About cyclohexen-1-yl-diethoxy-methylsilane
cyclohexen-1-yl-diethoxy-methylsilane (PubChem CID 13225409) has the molecular formula C11H22O2Si
and a molecular weight of 214.38 g/mol. Its IUPAC name is cyclohexen-1-yl-diethoxy-methylsilane.
Molecular Properties
| Compound Name | cyclohexen-1-yl-diethoxy-methylsilane |
| PubChem CID | 13225409 |
| Molecular Formula | C11H22O2Si |
| Molecular Weight | 214.38 g/mol |
| Exact Mass | 214.14 |
| IUPAC Name | cyclohexen-1-yl-diethoxy-methylsilane |
| SMILES | CCO[Si](C)(OCC)C1=CCCCC1 |
| InChI | InChI=1S/C11H22O2Si/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11/h9H,4-8,10H2,1-3H3 |
| InChIKey | MGYQQYTVMAXTMD-UHFFFAOYSA-N |
| XLogP | 3.17 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.38 |
| LogP ≤ 5 | 3.17 |
| 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 cyclohexen-1-yl-diethoxy-methylsilane?
The IUPAC name of cyclohexen-1-yl-diethoxy-methylsilane (CID 13225409) is cyclohexen-1-yl-diethoxy-methylsilane.
What is the SMILES notation for cyclohexen-1-yl-diethoxy-methylsilane?
The canonical SMILES for cyclohexen-1-yl-diethoxy-methylsilane is CCO[Si](C)(OCC)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-diethoxy-methylsilane?
The InChIKey is MGYQQYTVMAXTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11/h9H,4-8,10H2,1-3H3.
What are the key properties of cyclohexen-1-yl-diethoxy-methylsilane?
cyclohexen-1-yl-diethoxy-methylsilane has a molecular weight of 214.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-diethoxy-methylsilane is sourced from PubChem (CID 13225409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).