tert-butyl 4,4-dimethyl-2,5-dioxoimidazolidine-1-carboxylate

• ChemBase ID: 273548
• Molecular Formular: C10H16N2O4
• Molecular Mass: 228.24504
• Monoisotopic Mass: 228.111007
• SMILES: N1(C(=O)NC(C1=O)(C)C)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1C(=O)NC(C1=O)(C)C)OC(C)(C)C
• InChI: InChI=1S/C10H16N2O4/c1-9(2,3)16-8(15)12-6(13)10(4,5)11-7(12)14/h1-5H3,(H,11,14)
• InChIKey: RFVANDZJOBPDSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4,4-dimethyl-2,5-dioxoimidazolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4,4-dimethyl-2,5-dioxoimidazolidine-1-carboxylate
• Synonyms: tert-butyl 4,4-dimethyl-2,5-dioxoimidazolidine-1-carboxylate

Database IDs

• MDL Number: MFCD18785505
• PubChem SID: 164329458
• PubChem CID: 52908325

CALCULATED PROPERTIES

• Acid pKa: 10.719997
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2131661
• LogD (pH = 7.4): 1.2129633
• Log P: 1.2131687
• Molar Refractivity: 55.2484 cm^3
• Polarizability: 21.729624 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 1.262

Product Information

• Purity: 95%