About tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate (PubChem CID 175579795) has the molecular formula C31H43NO6Si
and a molecular weight of 553.77 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate.
Molecular Properties
| Compound Name | tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate |
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| PubChem CID | 175579795 |
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| Molecular Formula | C31H43NO6Si |
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| Molecular Weight | 553.77 g/mol |
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| Exact Mass | 553.29 |
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| IUPAC Name | tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate |
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| SMILES | CC(C)(C)OC(=O)N1C(=O)CC(OC2CCCCO2)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C |
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| InChI | InChI=1S/C31H43NO6Si/c1-30(2,3)38-29(34)32-25(26(21-27(32)33)37-28-19-13-14-20-35-28)22-36-39(31(4,5)6,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,25-26,28H,13-14,19-22H2,1-6H3/t25-,26?,28?/m1/s1 |
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| InChIKey | RTALZYWHJHVOOV-DIXXZCBKSA-N |
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| XLogP | 5.01 |
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| TPSA | 74.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 553.77 |
| LogP ≤ 5 | 5.01 |
| 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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Frequently Asked Questions
What is the IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate (CID 175579795) is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC(OC2CCCCO2)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is RTALZYWHJHVOOV-DIXXZCBKSA-N. The full InChI is InChI=1S/C31H43NO6Si/c1-30(2,3)38-29(34)32-25(26(21-27(32)33)37-28-19-13-14-20-35-28)22-36-39(31(4,5)6,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18,25-26,28H,13-14,19-22H2,1-6H3/t25-,26?,28?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 553.77 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 175579795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).