4-(2-methoxyethoxy)butanoic acid

• ChemBase ID: 262538
• Molecular Formular: C7H14O4
• Molecular Mass: 162.18366
• Monoisotopic Mass: 162.08920893
• SMILES: C(=O)(O)CCCOCCOC
• Canonical SMILES: COCCOCCCC(=O)O
• InChI: InChI=1S/C7H14O4/c1-10-5-6-11-4-2-3-7(8)9/h2-6H2,1H3,(H,8,9)
• InChIKey: KAPBHHXFLZBNTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)butanoic acid
• IUPAC Traditional name: 4-(2-methoxyethoxy)butanoic acid
• Synonyms: 4-(2-methoxyethoxy)butanoic acid

Database IDs

• MDL Number: MFCD09941757
• PubChem SID: 164318448
• PubChem CID: 16718859

CALCULATED PROPERTIES

• Acid pKa: 4.5312123
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9306884
• LogD (pH = 7.4): -2.7023416
• Log P: 0.08123118
• Molar Refractivity: 39.595 cm^3
• Polarizability: 15.614053 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.035

Product Information

• Purity: 95%