prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate

C26H49N3O4Si2 — CID 67752379

IUPACprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1Cc1cn[nH]c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49N3O4Si2/c1-12-14-31-24(30)29-19-22(33-35(10,11)26(5,6)7)17-21(29)16-20-18-27-28-23(20)13-15-32-34(8,9)25(2,3)4/h12,18,21-22H,1,13-17,19H2,2-11H3,(H,27,28)
InChIKeyARBLQWAWMIOESO-UHFFFAOYSA-N
MW523.87 g/mol
LogP6.30
Rot. Bonds10

About prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate

prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 67752379) has the molecular formula C26H49N3O4Si2 and a molecular weight of 523.87 g/mol. Its IUPAC name is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID67752379
Molecular FormulaC26H49N3O4Si2
Molecular Weight523.87 g/mol
Exact Mass523.33
IUPAC Nameprop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1Cc1cn[nH]c1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H49N3O4Si2/c1-12-14-31-24(30)29-19-22(33-35(10,11)26(5,6)7)17-21(29)16-20-18-27-28-23(20)13-15-32-34(8,9)25(2,3)4/h12,18,21-22H,1,13-17,19H2,2-11H3,(H,27,28)
InChIKeyARBLQWAWMIOESO-UHFFFAOYSA-N
XLogP6.30
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.87
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate (CID 67752379) is prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1Cc1cn[nH]c1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is ARBLQWAWMIOESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N3O4Si2/c1-12-14-31-24(30)29-19-22(33-35(10,11)26(5,6)7)17-21(29)16-20-18-27-28-23(20)13-15-32-34(8,9)25(2,3)4/h12,18,21-22H,1,13-17,19H2,2-11H3,(H,27,28).
What are the key properties of prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate?
prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 523.87 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-pyrazol-4-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67752379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).