tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate

• ChemBase ID: 241047
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: C(=O)(NC(C=O)CC(C)C)OC(C)(C)C
• Canonical SMILES: O=CC(NC(=O)OC(C)(C)C)CC(C)C
• InChI: InChI=1S/C11H21NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)
• InChIKey: RQSBRFZHUKLKNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate
• Synonyms: tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate

Database IDs

• MDL Number: MFCD22565866
• PubChem SID: 164296957
• PubChem CID: 546109

CALCULATED PROPERTIES

• Acid pKa: 13.970053
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.00888
• LogD (pH = 7.4): 2.00888
• Log P: 2.00888
• Molar Refractivity: 58.1185 cm^3
• Polarizability: 22.982286 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.543

Product Information

• Purity: 95%