2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate

C20H41NO5Si2 — CID 91752606

IUPAC2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41NO5Si2/c1-12-24-18(23)21-14-15(25-27(8,9)19(2,3)4)13-16(21)17(22)26-28(10,11)20(5,6)7/h15-16H,12-14H2,1-11H3
InChIKeyVJQCHYQXIQTOSM-UHFFFAOYSA-N
MW431.72 g/mol
LogP5.16
Rot. Bonds5

About 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate

2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate (PubChem CID 91752606) has the molecular formula C20H41NO5Si2 and a molecular weight of 431.72 g/mol. Its IUPAC name is 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
PubChem CID91752606
Molecular FormulaC20H41NO5Si2
Molecular Weight431.72 g/mol
Exact Mass431.25
IUPAC Name2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41NO5Si2/c1-12-24-18(23)21-14-15(25-27(8,9)19(2,3)4)13-16(21)17(22)26-28(10,11)20(5,6)7/h15-16H,12-14H2,1-11H3
InChIKeyVJQCHYQXIQTOSM-UHFFFAOYSA-N
XLogP5.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.72
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (2S,4R)-4-((tert-butyldimethylsilyl)oxy)-2-formylpyrrolidine-1-carboxylate
CID 10969557
(2S)-2-[[tert-Butyldimethylsilyloxy]methyl]-4-oxo-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
CID 11099551
(2S,4R)-1-tert-butyl 2-methyl 4-(tert-butyldimethylsilyloxy)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11793755
(2S,3S)-3-(tert-Butyl-dimethyl-silanyloxy)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 21636779
1,1-Dimethylethyl (2S,4S)-4-(((1,1-dimethylethyl)dimethylsilyl)oxy)-2-formyl-1-pyrrolidinecarboxylate
CID 57754007
Trimethylsilyl 1-(2,2,2-trifluoroacetyl)-4-trimethylsilyloxypyrrolidine-2-carboxylate
CID 620369
L-Proline, 1-(trifluoroacetyl)-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester, trans-
CID 22295281
Pro, N-isoBOC TBDMS
CID 529369
L-Proline, 4-[(tert-butyldimethylsilyl)oxy]-1-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester
CID 553807
(2R)-Pyrrolidine-1,2-dicarboxylic acid, bis(tert-butyldimethylsilyl) ester
CID 91742919
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 25138495
ditert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 102027970

Frequently Asked Questions

What is the IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate (CID 91752606) is 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate is CCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
The InChIKey is VJQCHYQXIQTOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO5Si2/c1-12-24-18(23)21-14-15(25-27(8,9)19(2,3)4)13-16(21)17(22)26-28(10,11)20(5,6)7/h15-16H,12-14H2,1-11H3.
What are the key properties of 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate?
2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate has a molecular weight of 431.72 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[tert-butyl(dimethyl)silyl] 1-O-ethyl 4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 91752606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).