About [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane
[(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane (PubChem CID 11146389) has the molecular formula C32H63O2PSi3
and a molecular weight of 595.09 g/mol. Its IUPAC name is [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane.
Molecular Properties
| Compound Name | [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane |
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| PubChem CID | 11146389 |
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| Molecular Formula | C32H63O2PSi3 |
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| Molecular Weight | 595.09 g/mol |
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| Exact Mass | 594.39 |
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| IUPAC Name | [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane |
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| SMILES | CC(C)[Si](O/C(=C(\P=C(/O[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2)(C(C)C)C(C)C |
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| InChI | InChI=1S/C32H63O2PSi3/c1-22(2)38(23(3)4,24(5)6)33-28(32-19-25-16-26(20-32)18-27(17-25)21-32)29(36(10,11)12)35-30(31(7,8)9)34-37(13,14)15/h22-27H,16-21H2,1-15H3/b29-28+ |
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| InChIKey | SOPZTTVLQDWDKL-ZQHSETAFSA-N |
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| XLogP | 11.46 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 595.09 |
| LogP ≤ 5 | 11.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane?
The IUPAC name of [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane (CID 11146389) is [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane.
What is the SMILES notation for [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane?
The canonical SMILES for [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane is CC(C)[Si](O/C(=C(\P=C(/O[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane?
The InChIKey is SOPZTTVLQDWDKL-ZQHSETAFSA-N. The full InChI is InChI=1S/C32H63O2PSi3/c1-22(2)38(23(3)4,24(5)6)33-28(32-19-25-16-26(20-32)18-27(17-25)21-32)29(36(10,11)12)35-30(31(7,8)9)34-37(13,14)15/h22-27H,16-21H2,1-15H3/b29-28+.
What are the key properties of [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane?
[(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane has a molecular weight of 595.09 g/mol, XLogP of 11.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(1-adamantyl)-1-trimethylsilyl-2-tri(propan-2-yl)silyloxyethenyl]-(2,2-dimethyl-1-trimethylsilyloxypropylidene)phosphane is sourced from PubChem (CID 11146389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).