4-ethoxybutan-1-ol

• ChemBase ID: 279228
• Molecular Formular: C6H14O2
• Molecular Mass: 118.17416
• Monoisotopic Mass: 118.09937969
• SMILES: OCCCCOCC
• Canonical SMILES: OCCCCOCC
• InChI: InChI=1S/C6H14O2/c1-2-8-6-4-3-5-7/h7H,2-6H2,1H3
• InChIKey: QRUOTIJTSNETKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxybutan-1-ol
• IUPAC Traditional name: 1-butanol, 4-ethoxy-
• Synonyms: 4-ethoxybutan-1-ol

Database IDs

• MDL Number: MFCD00040194
• PubChem SID: 164335138
• PubChem CID: 8131

CALCULATED PROPERTIES

• Acid pKa: 15.970745
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.36857778
• LogD (pH = 7.4): 0.36857778
• Log P: 0.36857778
• Molar Refractivity: 33.5634 cm^3
• Polarizability: 13.096364 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.059

Product Information

• Purity: 95%