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

• ChemBase ID: 248055
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1(=O)OC(CN1)(CC)CC
• Canonical SMILES: CCC1(CC)CNC(=O)O1
• InChI: InChI=1S/C7H13NO2/c1-3-7(4-2)5-8-6(9)10-7/h3-5H2,1-2H3,(H,8,9)
• InChIKey: WKESKZXXTJESEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19219011
• PubChem SID: 164303965
• PubChem CID: 349670

CALCULATED PROPERTIES

• Acid pKa: 13.445817
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3833504
• LogD (pH = 7.4): 1.38335
• Log P: 1.3833504
• Molar Refractivity: 37.1222 cm^3
• Polarizability: 14.820513 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.334

Product Information

• Purity: 95%