About tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane
tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane (PubChem CID 46845307) has the molecular formula C26H49NO2Si2
and a molecular weight of 463.86 g/mol. Its IUPAC name is tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane.
Molecular Properties
| Compound Name | tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane |
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| PubChem CID | 46845307 |
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| Molecular Formula | C26H49NO2Si2 |
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| Molecular Weight | 463.86 g/mol |
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| Exact Mass | 463.33 |
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| IUPAC Name | tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane |
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| SMILES | C[C@H](c1ccccc1)N1C[C@H]1[C@@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C26H49NO2Si2/c1-21(22-16-13-12-14-17-22)27-20-23(27)24(29-31(10,11)26(5,6)7)18-15-19-28-30(8,9)25(2,3)4/h12-14,16-17,21,23-24H,15,18-20H2,1-11H3/t21-,23+,24-,27?/m1/s1 |
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| InChIKey | YHCXAYAJTVPRPA-OIEXWRJMSA-N |
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| XLogP | 7.62 |
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| TPSA | 21.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 463.86 |
| LogP ≤ 5 | 7.62 |
| 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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane (CID 46845307) is tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane is C[C@H](c1ccccc1)N1C[C@H]1[C@@H](CCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?
The InChIKey is YHCXAYAJTVPRPA-OIEXWRJMSA-N. The full InChI is InChI=1S/C26H49NO2Si2/c1-21(22-16-13-12-14-17-22)27-20-23(27)24(29-31(10,11)26(5,6)7)18-15-19-28-30(8,9)25(2,3)4/h12-14,16-17,21,23-24H,15,18-20H2,1-11H3/t21-,23+,24-,27?/m1/s1.
What are the key properties of tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane?
tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane has a molecular weight of 463.86 g/mol, XLogP of 7.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 46845307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).