tert-butyl 4-[(tert-butyldimethylsilyl)oxy]-2-formylpyrrolidine-1-carboxylate

• ChemBase ID: 806243
• Molecular Formular: C16H31NO4Si
• Molecular Mass: 329.50714
• Monoisotopic Mass: 329.20223501
• SMILES: N1(C(CC(C1)O[Si](C)(C)C(C)(C)C)C=O)C(=O)OC(C)(C)C
• Canonical SMILES: O=CC1CC(CN1C(=O)OC(C)(C)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C16H31NO4Si/c1-15(2,3)20-14(19)17-10-13(9-12(17)11-18)21-22(7,8)16(4,5)6/h11-13H,9-10H2,1-8H3
• InChIKey: FUDKXBTUIHSMIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(tert-butyldimethylsilyl)oxy]-2-formylpyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(tert-butyldimethylsilyl)oxy]-2-formylpyrrolidine-1-carboxylate
• Synonyms: 4-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-2-FORMYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CALCULATED PROPERTIES

• Acid pKa: 15.171903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3097
• LogD (pH = 7.4): 2.3097
• Log P: 2.3097
• Molar Refractivity: 83.3 cm^3
• Polarizability: 35.096954 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%