bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate

C18H37NO4Si2 — CID 91742919

IUPACbis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCCN1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37NO4Si2/c1-17(2,3)24(7,8)22-15(20)14-12-11-13-19(14)16(21)23-25(9,10)18(4,5)6/h14H,11-13H2,1-10H3
InChIKeyLBXPKVVMJYSDAI-UHFFFAOYSA-N
MW387.67 g/mol
LogP5.14
Rot. Bonds3

About bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate

bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate (PubChem CID 91742919) has the molecular formula C18H37NO4Si2 and a molecular weight of 387.67 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate
PubChem CID91742919
Molecular FormulaC18H37NO4Si2
Molecular Weight387.67 g/mol
Exact Mass387.23
IUPAC Namebis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCCN1C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37NO4Si2/c1-17(2,3)24(7,8)22-15(20)14-12-11-13-19(14)16(21)23-25(9,10)18(4,5)6/h14H,11-13H2,1-10H3
InChIKeyLBXPKVVMJYSDAI-UHFFFAOYSA-N
XLogP5.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.67
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
sodium tris[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxy]boranuide
CID 23679383
1-O-tert-butyl 2-O-cyclopentyl pyrrolidine-1,2-dicarboxylate
CID 71904508
CID 155769942
CID 155769942
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 165389383
tert-butyl (2S)-2-(3-trimethylsilylprop-2-ynoyl)pyrrolidine-1-carboxylate
CID 59650712
1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;methane;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 144826606
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate (CID 91742919) is bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1CCCN1C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate?
The InChIKey is LBXPKVVMJYSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4Si2/c1-17(2,3)24(7,8)22-15(20)14-12-11-13-19(14)16(21)23-25(9,10)18(4,5)6/h14H,11-13H2,1-10H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate?
bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate has a molecular weight of 387.67 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 91742919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).