Ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
C26H58O2Si2 — CID 153321945
Data last refreshed: (MolForge compound catalog, from PubChem)
About Ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane
Ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane (PubChem CID 153321945) has the molecular formula C26H58O2Si2 and a molecular weight of 458.92 g/mol. Its IUPAC name is ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane.
Molecular Properties
| Compound Name | Ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane |
|---|---|
| PubChem CID | 153321945 |
| Molecular Formula | C26H58O2Si2 |
| Molecular Weight | 458.92 g/mol |
| Exact Mass | 458.40 |
| IUPAC Name | ethoxy-[18-[ethoxy(dimethyl)silyl]octadecyl]-dimethylsilane |
| SMILES | CCO[Si](C)(C)CCCCCCCCCCCCCCCCCC[Si](C)(C)OCC |
| InChI | InChI=1S/C26H58O2Si2/c1-7-27-29(3,4)25-23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-26-30(5,6)28-8-2/h7-26H2,1-6H3 |
| InChIKey | MMDJYIJIVIKATN-UHFFFAOYSA-N |
| XLogP | 9.71 |
| TPSA | 18.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 30 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 458.92 |
| LogP ≤ 5 | 9.71 |
| 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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Sources
- PubChem CID 153321945 — identifiers, structure, computed properties (public domain)
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