tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

C22H47NO4Si2 — CID 14436246

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H47NO4Si2/c1-20(2,3)26-19(24)23-15-14-18(27-29(12,13)22(7,8)9)17(23)16-25-28(10,11)21(4,5)6/h17-18H,14-16H2,1-13H3
InChIKeySPPXONJQIUVECY-UHFFFAOYSA-N
MW445.79 g/mol
LogP6.41
Rot. Bonds5

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 14436246) has the molecular formula C22H47NO4Si2 and a molecular weight of 445.79 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID14436246
Molecular FormulaC22H47NO4Si2
Molecular Weight445.79 g/mol
Exact Mass445.30
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H47NO4Si2/c1-20(2,3)26-19(24)23-15-14-18(27-29(12,13)22(7,8)9)17(23)16-25-28(10,11)21(4,5)6/h17-18H,14-16H2,1-13H3
InChIKeySPPXONJQIUVECY-UHFFFAOYSA-N
XLogP6.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.79
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (CID 14436246) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is SPPXONJQIUVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO4Si2/c1-20(2,3)26-19(24)23-15-14-18(27-29(12,13)22(7,8)9)17(23)16-25-28(10,11)21(4,5)6/h17-18H,14-16H2,1-13H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 445.79 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 14436246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).