tert-butyl N-(1-methoxy-2-methylpropan-2-yl)carbamate

• ChemBase ID: 58159
• Molecular Formular: C10H21NO3
• Molecular Mass: 203.27864
• Monoisotopic Mass: 203.15214354
• SMILES: O(CC(NC(=O)OC(C)(C)C)(C)C)C
• Canonical SMILES: COCC(NC(=O)OC(C)(C)C)(C)C
• InChI: InChI=1S/C10H21NO3/c1-9(2,3)14-8(12)11-10(4,5)7-13-6/h7H2,1-6H3,(H,11,12)
• InChIKey: VPUPUQCLEUNSET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-methoxy-2-methylpropan-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-methoxy-2-methylpropan-2-yl)carbamate
• Synonyms: tert-Butyl (2-methoxy-1,1-dimethylethyl)carbamate

Database IDs

• MDL Number: MFCD15143199
• PubChem SID: 162062922
• PubChem CID: 21255687

CALCULATED PROPERTIES

• Acid pKa: 14.525784
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5168147
• LogD (pH = 7.4): 1.5168147
• Log P: 1.5168147
• Molar Refractivity: 54.8923 cm^3
• Polarizability: 21.76071 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false