1-(2-methoxyethoxy)propan-2-one

• ChemBase ID: 278583
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: O=C(COCCOC)C
• Canonical SMILES: COCCOCC(=O)C
• InChI: InChI=1S/C6H12O3/c1-6(7)5-9-4-3-8-2/h3-5H2,1-2H3
• InChIKey: MSYGEAQDQJEOCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethoxy)propan-2-one
• IUPAC Traditional name: 1-(2-methoxyethoxy)propan-2-one
• Synonyms: 1-(2-methoxyethoxy)propan-2-one

Database IDs

• MDL Number: MFCD01105045
• PubChem SID: 164334493
• PubChem CID: 3517194

CALCULATED PROPERTIES

• Acid pKa: 18.33808
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.11481724
• LogD (pH = 7.4): -0.11481724
• Log P: -0.11481724
• Molar Refractivity: 33.6917 cm^3
• Polarizability: 13.281858 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.443

Product Information

• Purity: 95%