tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate

C26H35NO4Si — CID 90687149

IUPACtert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C=O
InChIInChI=1S/C26H35NO4Si/c1-25(2,3)30-24(29)27-18-21(17-20(27)19-28)31-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19-21H,17-18H2,1-6H3/t20-,21-/m1/s1
InChIKeySNPAIYIHNYMTDT-NHCUHLMSSA-N
MW453.66 g/mol
LogP4.14
Rot. Bonds5

About tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate (PubChem CID 90687149) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
PubChem CID90687149
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C=O
InChIInChI=1S/C26H35NO4Si/c1-25(2,3)30-24(29)27-18-21(17-20(27)19-28)31-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19-21H,17-18H2,1-6H3/t20-,21-/m1/s1
InChIKeySNPAIYIHNYMTDT-NHCUHLMSSA-N
XLogP4.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate (CID 90687149) is tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C=O.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
The InChIKey is SNPAIYIHNYMTDT-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-25(2,3)30-24(29)27-18-21(17-20(27)19-28)31-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19-21H,17-18H2,1-6H3/t20-,21-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate has a molecular weight of 453.66 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate is sourced from PubChem (CID 90687149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).