About [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane
[1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane (PubChem CID 140750837) has the molecular formula C28H71FO9Si7
and a molecular weight of 767.47 g/mol. Its IUPAC name is [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane.
Molecular Properties
| Compound Name | [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane |
|---|
| PubChem CID | 140750837 |
|---|
| Molecular Formula | C28H71FO9Si7 |
|---|
| Molecular Weight | 767.47 g/mol |
|---|
| Exact Mass | 766.35 |
|---|
| IUPAC Name | [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane |
|---|
| SMILES | CO[Si](CC[Si](C)(C)O[Si](C)(C)CCCC(F)(CCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC |
|---|
| InChI | InChI=1S/C28H71FO9Si7/c1-30-44(31-2,32-3)26-24-42(14,15)37-40(10,11)22-18-20-28(29,36-39(7,8)9)21-19-23-41(12,13)38-43(16,17)25-27-45(33-4,34-5)35-6/h18-27H2,1-17H3 |
|---|
| InChIKey | UAMMFLIQJVJHGU-UHFFFAOYSA-N |
|---|
| XLogP | 8.67 |
|---|
| TPSA | 83.07 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 26 |
|---|
| Heavy Atoms | 45 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 767.47 |
| LogP ≤ 5 | 8.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane 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 [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
The IUPAC name of [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane (CID 140750837) is [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
The canonical SMILES for [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane is CO[Si](CC[Si](C)(C)O[Si](C)(C)CCCC(F)(CCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC)O[Si](C)(C)C)(OC)OC.
What is the InChIKey of [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
The InChIKey is UAMMFLIQJVJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H71FO9Si7/c1-30-44(31-2,32-3)26-24-42(14,15)37-40(10,11)22-18-20-28(29,36-39(7,8)9)21-19-23-41(12,13)38-43(16,17)25-27-45(33-4,34-5)35-6/h18-27H2,1-17H3.
What are the key properties of [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane?
[1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane has a molecular weight of 767.47 g/mol, XLogP of 8.67, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1,7-bis[[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilyl]-4-fluoroheptan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 140750837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).