5,5-dimethyl-1,3-oxazolidin-2-one

• ChemBase ID: 243574
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: C1(=O)OC(CN1)(C)C
• Canonical SMILES: O=C1NCC(O1)(C)C
• InChI: InChI=1S/C5H9NO2/c1-5(2)3-6-4(7)8-5/h3H2,1-2H3,(H,6,7)
• InChIKey: OGUQHFXVADNTBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5,5-dimethyl-1,3-oxazolidin-2-one
• Synonyms: 5,5-dimethyl-1,3-oxazolidin-2-one

Database IDs

• MDL Number: MFCD11502070
• PubChem SID: 164299484
• PubChem CID: 136892

CALCULATED PROPERTIES

• Acid pKa: 13.221657
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.33830562
• LogD (pH = 7.4): 0.33830506
• Log P: 0.33830562
• Molar Refractivity: 28.0742 cm^3
• Polarizability: 11.166473 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.276

Product Information

• Purity: 95%