ethyl 3-hydroxy-2-methylpropanoate

• ChemBase ID: 284755
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: C(=O)(C(CO)C)OCC
• Canonical SMILES: CCOC(=O)C(CO)C
• InChI: InChI=1S/C6H12O3/c1-3-9-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3
• InChIKey: SLKZIPLLOLLLPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-hydroxy-2-methylpropanoate
• IUPAC Traditional name: ethyl 3-hydroxy-2-methylpropanoate
• Synonyms: ethyl 3-hydroxy-2-methylpropanoate

Database IDs

• MDL Number: MFCD16087525
• PubChem SID: 180670286
• PubChem CID: 13102430

CALCULATED PROPERTIES

• Acid pKa: 15.241992
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.24210727
• LogD (pH = 7.4): 0.24210726
• Log P: 0.24210727
• Molar Refractivity: 33.1375 cm^3
• Polarizability: 13.213227 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.365

Product Information

• Purity: 95%