5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 268774
• Molecular Formular: C6H10N2O3
• Molecular Mass: 158.1552
• Monoisotopic Mass: 158.06914219
• SMILES: N1C(=O)NC(C1=O)(COC)C
• Canonical SMILES: CC1(COC)NC(=O)NC1=O
• InChI: InChI=1S/C6H10N2O3/c1-6(3-11-2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10)
• InChIKey: SKKYNGSKQXMIQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
• Synonyms: 5-(methoxymethyl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD16622202
• PubChem SID: 164324684
• PubChem CID: 47003415

CALCULATED PROPERTIES

• Acid pKa: 9.848369
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.85249305
• LogD (pH = 7.4): -0.85400015
• Log P: -0.8524738
• Molar Refractivity: 36.5482 cm^3
• Polarizability: 14.307979 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.009

Product Information

• Purity: 95%