3-ethoxycyclobutan-1-one

• ChemBase ID: 246774
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: C1(=O)CC(C1)OCC
• Canonical SMILES: CCOC1CC(=O)C1
• InChI: InChI=1S/C6H10O2/c1-2-8-6-3-5(7)4-6/h6H,2-4H2,1H3
• InChIKey: LVHZHHKPKYYHKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxycyclobutan-1-one
• IUPAC Traditional name: 3-ethoxycyclobutan-1-one
• Synonyms: 3-ethoxycyclobutan-1-one

Database IDs

• MDL Number: MFCD21755693
• PubChem SID: 164302684
• PubChem CID: 12563868

CALCULATED PROPERTIES

• Acid pKa: 17.402115
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5240878
• LogD (pH = 7.4): 0.5240878
• Log P: 0.5240878
• Molar Refractivity: 29.9067 cm^3
• Polarizability: 11.834835 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.449

Product Information

• Purity: 95%