prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate

C26H49N3O4Si2 — CID 54424164

IUPACprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1Cc1cnn(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49N3O4Si2/c1-13-14-31-24(30)29-18-22(33-35(11,12)26(5,6)7)16-21(29)15-20-17-27-28(8)23(20)19-32-34(9,10)25(2,3)4/h13,17,21-22H,1,14-16,18-19H2,2-12H3/t21-,22-/m1/s1
InChIKeyWCWUSILYQVRUQC-FGZHOGPDSA-N
MW523.87 g/mol
LogP6.27
Rot. Bonds9

About prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate

prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 54424164) has the molecular formula C26H49N3O4Si2 and a molecular weight of 523.87 g/mol. Its IUPAC name is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID54424164
Molecular FormulaC26H49N3O4Si2
Molecular Weight523.87 g/mol
Exact Mass523.33
IUPAC Nameprop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1Cc1cnn(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49N3O4Si2/c1-13-14-31-24(30)29-18-22(33-35(11,12)26(5,6)7)16-21(29)15-20-17-27-28(8)23(20)19-32-34(9,10)25(2,3)4/h13,17,21-22H,1,14-16,18-19H2,2-12H3/t21-,22-/m1/s1
InChIKeyWCWUSILYQVRUQC-FGZHOGPDSA-N
XLogP6.27
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.87
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate (CID 54424164) is prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1Cc1cnn(C)c1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is WCWUSILYQVRUQC-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H49N3O4Si2/c1-13-14-31-24(30)29-18-22(33-35(11,12)26(5,6)7)16-21(29)15-20-17-27-28(8)23(20)19-32-34(9,10)25(2,3)4/h13,17,21-22H,1,14-16,18-19H2,2-12H3/t21-,22-/m1/s1.
What are the key properties of prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 523.87 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 54424164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).