About [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane
[dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane (PubChem CID 141006663) has the molecular formula C60H130O3Si4
and a molecular weight of 1012.04 g/mol. Its IUPAC name is [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane.
Molecular Properties
| Compound Name | [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane |
| PubChem CID | 141006663 |
| Molecular Formula | C60H130O3Si4 |
| Molecular Weight | 1012.04 g/mol |
| Exact Mass | 1010.91 |
| IUPAC Name | [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane |
| SMILES | CCCCCC[Si](CCCCCC)(CCCCCC)O[Si](CCCCCC)(CCCCCC)O[Si](CCCCCC)(CCCCCC)O[Si](CCCCCC)(CCCCCC)CCCCCC |
| InChI | InChI=1S/C60H130O3Si4/c1-11-21-31-41-51-64(52-42-32-22-12-2,53-43-33-23-13-3)61-66(57-47-37-27-17-7,58-48-38-28-18-8)63-67(59-49-39-29-19-9,60-50-40-30-20-10)62-65(54-44-34-24-14-4,55-45-35-25-15-5)56-46-36-26-16-6/h11-60H2,1-10H3 |
| InChIKey | SQAGIWNOLOPJKR-UHFFFAOYSA-N |
| XLogP | 23.61 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 67 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 1012.04 |
| LogP ≤ 5 | 23.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane?
The IUPAC name of [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane (CID 141006663) is [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane.
What is the SMILES notation for [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane?
The canonical SMILES for [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane is CCCCCC[Si](CCCCCC)(CCCCCC)O[Si](CCCCCC)(CCCCCC)O[Si](CCCCCC)(CCCCCC)O[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane?
The InChIKey is SQAGIWNOLOPJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H130O3Si4/c1-11-21-31-41-51-64(52-42-32-22-12-2,53-43-33-23-13-3)61-66(57-47-37-27-17-7,58-48-38-28-18-8)63-67(59-49-39-29-19-9,60-50-40-30-20-10)62-65(54-44-34-24-14-4,55-45-35-25-15-5)56-46-36-26-16-6/h11-60H2,1-10H3.
What are the key properties of [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane?
[dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane has a molecular weight of 1012.04 g/mol, XLogP of 23.61, 56 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dihexyl(trihexylsilyloxy)silyl]oxy-dihexyl-trihexylsilyloxysilane is sourced from PubChem (CID 141006663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).