About [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane
[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane (PubChem CID 176847567) has the molecular formula C38H89FO9Si6
and a molecular weight of 877.63 g/mol. Its IUPAC name is [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane.
Molecular Properties
| Compound Name | [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane |
|---|
| PubChem CID | 176847567 |
|---|
| Molecular Formula | C38H89FO9Si6 |
|---|
| Molecular Weight | 877.63 g/mol |
|---|
| Exact Mass | 876.51 |
|---|
| IUPAC Name | [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane |
|---|
| SMILES | CO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCC(F)OCCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)(OC)OC |
|---|
| InChI | InChI=1S/C38H89FO9Si6/c1-40-53(41-2,42-3)36-26-21-17-15-19-24-32-49(7,8)47-51(11,12)34-28-23-30-38(39)46-31-29-35-52(13,14)48-50(9,10)33-25-20-16-18-22-27-37-54(43-4,44-5)45-6/h38H,15-37H2,1-14H3 |
|---|
| InChIKey | PZPLAGOXYGZYGO-UHFFFAOYSA-N |
|---|
| XLogP | 12.15 |
|---|
| TPSA | 83.07 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 38 |
|---|
| Heavy Atoms | 54 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 877.63 |
| LogP ≤ 5 | 12.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane?
The IUPAC name of [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane (CID 176847567) is [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane.
What is the SMILES notation for [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane?
The canonical SMILES for [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane is CO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCC(F)OCCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane?
The InChIKey is PZPLAGOXYGZYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H89FO9Si6/c1-40-53(41-2,42-3)36-26-21-17-15-19-24-32-49(7,8)47-51(11,12)34-28-23-30-38(39)46-31-29-35-52(13,14)48-50(9,10)33-25-20-16-18-22-27-37-54(43-4,44-5)45-6/h38H,15-37H2,1-14H3.
What are the key properties of [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane?
[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane has a molecular weight of 877.63 g/mol, XLogP of 12.15, 38 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(8-trimethoxysilyloctyl)silyl]oxy-[3-[5-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]-1-fluoropentoxy]propyl]-dimethylsilane is sourced from PubChem (CID 176847567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).