About 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane
1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane (PubChem CID 154120540) has the molecular formula C15H30O2Si
and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane.
Molecular Properties
| Compound Name | 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane |
| PubChem CID | 154120540 |
| Molecular Formula | C15H30O2Si |
| Molecular Weight | 270.49 g/mol |
| Exact Mass | 270.20 |
| IUPAC Name | 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane |
| SMILES | CO[Si](C)(OC(C)C1CCC1)C1CCCCCC1 |
| InChI | InChI=1S/C15H30O2Si/c1-13(14-9-8-10-14)17-18(3,16-2)15-11-6-4-5-7-12-15/h13-15H,4-12H2,1-3H3 |
| InChIKey | BQIPUPSLBLAZGJ-UHFFFAOYSA-N |
| XLogP | 4.63 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 270.49 |
| LogP ≤ 5 | 4.63 |
| 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 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
The IUPAC name of 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane (CID 154120540) is 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane.
What is the SMILES notation for 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
The canonical SMILES for 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane is CO[Si](C)(OC(C)C1CCC1)C1CCCCCC1.
What is the InChIKey of 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
The InChIKey is BQIPUPSLBLAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-13(14-9-8-10-14)17-18(3,16-2)15-11-6-4-5-7-12-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane is sourced from PubChem (CID 154120540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).