tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate

C28H39NO3Si — CID 23726637

IUPACtert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO3Si/c1-8-22-19-20-29(26(30)32-27(2,3)4)25(22)21-31-33(28(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,22,25H,1,19-21H2,2-7H3/t22-,25+/m0/s1
InChIKeyHPCUHGPEDUSYKB-WIOPSUGQSA-N
MW465.71 g/mol
LogP5.37
Rot. Bonds6

About tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate

tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate (PubChem CID 23726637) has the molecular formula C28H39NO3Si and a molecular weight of 465.71 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate
PubChem CID23726637
Molecular FormulaC28H39NO3Si
Molecular Weight465.71 g/mol
Exact Mass465.27
IUPAC Nametert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate
SMILESC=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H39NO3Si/c1-8-22-19-20-29(26(30)32-27(2,3)4)25(22)21-31-33(28(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,22,25H,1,19-21H2,2-7H3/t22-,25+/m0/s1
InChIKeyHPCUHGPEDUSYKB-WIOPSUGQSA-N
XLogP5.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate (CID 23726637) is tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate is C=C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate?
The InChIKey is HPCUHGPEDUSYKB-WIOPSUGQSA-N. The full InChI is InChI=1S/C28H39NO3Si/c1-8-22-19-20-29(26(30)32-27(2,3)4)25(22)21-31-33(28(5,6)7,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,22,25H,1,19-21H2,2-7H3/t22-,25+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate?
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate has a molecular weight of 465.71 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 23726637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).