About [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate
[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate (PubChem CID 87197815) has the molecular formula C46H102O6Si5
and a molecular weight of 891.75 g/mol. Its IUPAC name is [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate.
Molecular Properties
| Compound Name | [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate |
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| PubChem CID | 87197815 |
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| Molecular Formula | C46H102O6Si5 |
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| Molecular Weight | 891.75 g/mol |
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| Exact Mass | 890.65 |
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| IUPAC Name | [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate |
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| SMILES | CC(=O)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C |
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| InChI | InChI=1S/C46H102O6Si5/c1-35(2)24-53(25-36(3)4,26-37(5)6)49-55(29-40(11)12,30-41(13)14)51-57(33-44(19)20,34-45(21)22)52-56(31-42(15)16,32-43(17)18)50-54(27-38(7)8,28-39(9)10)48-46(23)47/h35-45H,24-34H2,1-23H3 |
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| InChIKey | PJPOQCWBBWGIPV-UHFFFAOYSA-N |
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| XLogP | 15.55 |
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| TPSA | 63.22 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 31 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 891.75 |
| LogP ≤ 5 | 15.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate with MolForge
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Frequently Asked Questions
What is the IUPAC name of [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
The IUPAC name of [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate (CID 87197815) is [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate.
What is the SMILES notation for [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
The canonical SMILES for [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate is CC(=O)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)O[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
The InChIKey is PJPOQCWBBWGIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H102O6Si5/c1-35(2)24-53(25-36(3)4,26-37(5)6)49-55(29-40(11)12,30-41(13)14)51-57(33-44(19)20,34-45(21)22)52-56(31-42(15)16,32-43(17)18)50-54(27-38(7)8,28-39(9)10)48-46(23)47/h35-45H,24-34H2,1-23H3.
What are the key properties of [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate?
[[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate has a molecular weight of 891.75 g/mol, XLogP of 15.55, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[[[bis(2-methylpropyl)-[tris(2-methylpropyl)silyloxy]silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl]oxy-bis(2-methylpropyl)silyl] acetate is sourced from PubChem (CID 87197815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).