About tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane (PubChem CID 54597403) has the molecular formula C22H46O2Si2
and a molecular weight of 398.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane.
Molecular Properties
| Compound Name | tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane |
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| PubChem CID | 54597403 |
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| Molecular Formula | C22H46O2Si2 |
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| Molecular Weight | 398.78 g/mol |
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| Exact Mass | 398.30 |
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| IUPAC Name | tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane |
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| SMILES | C/C(=C\[Si](C(C)C)(C(C)C)C(C)C)[C@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C22H46O2Si2/c1-16(2)26(17(3)4,18(5)6)15-19(7)22(11)20(24-22)14-23-25(12,13)21(8,9)10/h15-18,20H,14H2,1-13H3/b19-15+/t20-,22+/m1/s1 |
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| InChIKey | PWERAVOHKHJUEL-OWXZVYGXSA-N |
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| XLogP | 7.33 |
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| TPSA | 21.76 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 26 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 398.78 |
| LogP ≤ 5 | 7.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'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-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane (CID 54597403) is tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane is C/C(=C\[Si](C(C)C)(C(C)C)C(C)C)[C@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane?
The InChIKey is PWERAVOHKHJUEL-OWXZVYGXSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-16(2)26(17(3)4,18(5)6)15-19(7)22(11)20(24-22)14-23-25(12,13)21(8,9)10/h15-18,20H,14H2,1-13H3/b19-15+/t20-,22+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane has a molecular weight of 398.78 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 54597403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).