About bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate
bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate (PubChem CID 11366422) has the molecular formula C40H70O8Si6
and a molecular weight of 847.51 g/mol. Its IUPAC name is bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate.
Molecular Properties
| Compound Name | bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate |
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| PubChem CID | 11366422 |
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| Molecular Formula | C40H70O8Si6 |
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| Molecular Weight | 847.51 g/mol |
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| Exact Mass | 846.37 |
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| IUPAC Name | bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate |
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| SMILES | CC(COC(=O)C(=CC=C(c1ccccc1)c1ccccc1)C(=O)OCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C |
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| InChI | InChI=1S/C40H70O8Si6/c1-33(31-53(15,45-49(3,4)5)46-50(6,7)8)29-43-39(41)38(28-27-37(35-23-19-17-20-24-35)36-25-21-18-22-26-36)40(42)44-30-34(2)32-54(16,47-51(9,10)11)48-52(12,13)14/h17-28,33-34H,29-32H2,1-16H3 |
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| InChIKey | DDUDFOWYSCIFIB-UHFFFAOYSA-N |
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| XLogP | 10.95 |
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| TPSA | 89.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 847.51 |
| LogP ≤ 5 | 10.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate?
The IUPAC name of bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate (CID 11366422) is bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate.
What is the SMILES notation for bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate?
The canonical SMILES for bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate is CC(COC(=O)C(=CC=C(c1ccccc1)c1ccccc1)C(=O)OCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate?
The InChIKey is DDUDFOWYSCIFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H70O8Si6/c1-33(31-53(15,45-49(3,4)5)46-50(6,7)8)29-43-39(41)38(28-27-37(35-23-19-17-20-24-35)36-25-21-18-22-26-36)40(42)44-30-34(2)32-54(16,47-51(9,10)11)48-52(12,13)14/h17-28,33-34H,29-32H2,1-16H3.
What are the key properties of bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate?
bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate has a molecular weight of 847.51 g/mol, XLogP of 10.95, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-(3,3-diphenylprop-2-enylidene)propanedioate is sourced from PubChem (CID 11366422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).