5-heptyl-5-methylimidazolidine-2,4-dione

• ChemBase ID: 230914
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: N1C(=O)NC(C1=O)(CCCCCCC)C
• Canonical SMILES: CCCCCCCC1(C)NC(=O)NC1=O
• InChI: InChI=1S/C11H20N2O2/c1-3-4-5-6-7-8-11(2)9(14)12-10(15)13-11/h3-8H2,1-2H3,(H2,12,13,14,15)
• InChIKey: YKUGAPPICXMOIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-heptyl-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-heptyl-5-methylimidazolidine-2,4-dione
• Synonyms: 5-Heptyl-5-methyl-imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD03952867
• PubChem SID: 164286824
• PubChem CID: 232315

CALCULATED PROPERTIES

• Acid pKa: 10.199564
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2966669
• LogD (pH = 7.4): 2.2959948
• Log P: 2.2966754
• Molar Refractivity: 57.7823 cm^3
• Polarizability: 22.69406 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.521

Product Information

• Purity: 95%