2,5-dioxopyrrolidin-1-yl 3-[(tert-butyldimethylsilyl)oxy]-2,2-dimethylbutanoate

• ChemBase ID: 163271
• Molecular Formular: C16H29NO5Si
• Molecular Mass: 343.49066
• Monoisotopic Mass: 343.18149957
• SMILES: C(C(C(=O)ON1C(=O)CCC1=O)(C)C)(O[Si](C(C)(C)C)(C)C)C
• Canonical SMILES: O=C1CCC(=O)N1OC(=O)C(C(O[Si](C(C)(C)C)(C)C)C)(C)C
• InChI: InChI=1S/C16H29NO5Si/c1-11(22-23(7,8)15(2,3)4)16(5,6)14(20)21-17-12(18)9-10-13(17)19/h11H,9-10H2,1-8H3
• InChIKey: ZSJZQTOBJOVMEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl 3-[(tert-butyldimethylsilyl)oxy]-2,2-dimethylbutanoate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl 3-[(tert-butyldimethylsilyl)oxy]-2,2-dimethylbutanoate
• Synonyms: 3-tert-Butyldimethylsilyloxy-2,2-dimethyl-1-oxobutoxyl-2,5-pyrrolidinedione; 3-tert-Butyldimethylsilyloxy-2,2-dimethylbutanoic Acid N-Hydroxysuccinimide Ester; 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,2-dimethyl-butanoic Acid 2,5-Dioxo-1-pyrrolidinyl Ester; N-(3-tert-Butyldimethylsilyloxy-2,2-dimethylbutyryloxy)succinimide

Database IDs

• CAS Number: 1076199-64-8
• PubChem SID: 162257406
• PubChem CID: 46780940

CALCULATED PROPERTIES

• Acid pKa: 17.70716
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0243
• LogD (pH = 7.4): 3.0243
• Log P: 3.0243
• Molar Refractivity: 82.9415 cm^3
• Polarizability: 35.21012 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White to Off-White Solid