About dimethyl-(2-methylpropoxy)-octan-2-yloxysilane
dimethyl-(2-methylpropoxy)-octan-2-yloxysilane (PubChem CID 91726674) has the molecular formula C14H32O2Si
and a molecular weight of 260.49 g/mol. Its IUPAC name is dimethyl-(2-methylpropoxy)-octan-2-yloxysilane.
Molecular Properties
| Compound Name | dimethyl-(2-methylpropoxy)-octan-2-yloxysilane |
| PubChem CID | 91726674 |
| Molecular Formula | C14H32O2Si |
| Molecular Weight | 260.49 g/mol |
| Exact Mass | 260.22 |
| IUPAC Name | dimethyl-(2-methylpropoxy)-octan-2-yloxysilane |
| SMILES | CCCCCCC(C)O[Si](C)(C)OCC(C)C |
| InChI | InChI=1S/C14H32O2Si/c1-7-8-9-10-11-14(4)16-17(5,6)15-12-13(2)3/h13-14H,7-12H2,1-6H3 |
| InChIKey | HJRQLGAGNBUTOI-UHFFFAOYSA-N |
| XLogP | 4.74 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 260.49 |
| LogP ≤ 5 | 4.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dimethyl-(2-methylpropoxy)-octan-2-yloxysilane?
The IUPAC name of dimethyl-(2-methylpropoxy)-octan-2-yloxysilane (CID 91726674) is dimethyl-(2-methylpropoxy)-octan-2-yloxysilane.
What is the SMILES notation for dimethyl-(2-methylpropoxy)-octan-2-yloxysilane?
The canonical SMILES for dimethyl-(2-methylpropoxy)-octan-2-yloxysilane is CCCCCCC(C)O[Si](C)(C)OCC(C)C.
What is the InChIKey of dimethyl-(2-methylpropoxy)-octan-2-yloxysilane?
The InChIKey is HJRQLGAGNBUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-7-8-9-10-11-14(4)16-17(5,6)15-12-13(2)3/h13-14H,7-12H2,1-6H3.
What are the key properties of dimethyl-(2-methylpropoxy)-octan-2-yloxysilane?
dimethyl-(2-methylpropoxy)-octan-2-yloxysilane has a molecular weight of 260.49 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylpropoxy)-octan-2-yloxysilane is sourced from PubChem (CID 91726674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).