3-ethyl-5,5-dimethylimidazolidine-2,4-dione

• ChemBase ID: 247736
• Molecular Formular: C7H12N2O2
• Molecular Mass: 156.18238
• Monoisotopic Mass: 156.08987763
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC
• Canonical SMILES: CCN1C(=O)NC(C1=O)(C)C
• InChI: InChI=1S/C7H12N2O2/c1-4-9-5(10)7(2,3)8-6(9)11/h4H2,1-3H3,(H,8,11)
• InChIKey: PUOUKAVMFCKYKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5,5-dimethylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-ethyl-5,5-dimethylimidazolidine-2,4-dione
• Synonyms: 3-ethyl-5,5-dimethylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD11731550
• PubChem SID: 164303646
• PubChem CID: 588189

CALCULATED PROPERTIES

• Acid pKa: 11.821898
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.13179347
• LogD (pH = 7.4): 0.13177744
• Log P: 0.13179368
• Molar Refractivity: 39.8986 cm^3
• Polarizability: 15.37034 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.502

Product Information

• Purity: 95%