5-hexyl-5-methylimidazolidine-2,4-dione

• ChemBase ID: 230918
• Molecular Formular: C10H18N2O2
• Molecular Mass: 198.26212
• Monoisotopic Mass: 198.13682783
• SMILES: N1C(=O)NC(C1=O)(CCCCCC)C
• Canonical SMILES: CCCCCCC1(C)NC(=O)NC1=O
• InChI: InChI=1S/C10H18N2O2/c1-3-4-5-6-7-10(2)8(13)11-9(14)12-10/h3-7H2,1-2H3,(H2,11,12,13,14)
• InChIKey: IRPZLZDRELZAHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hexyl-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-hexyl-5-methylimidazolidine-2,4-dione
• Synonyms: 5-Hexyl-5-methyl-imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD03952920
• PubChem SID: 164286828
• PubChem CID: 219571

CALCULATED PROPERTIES

• Acid pKa: 10.198919
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8520981
• LogD (pH = 7.4): 1.851425
• Log P: 1.8521067
• Molar Refractivity: 53.1813 cm^3
• Polarizability: 20.859549 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.992

Product Information

• Purity: 95%