2-cyclobutoxyethan-1-ol

• ChemBase ID: 235289
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: O(C1CCC1)CCO
• Canonical SMILES: OCCOC1CCC1
• InChI: InChI=1S/C6H12O2/c7-4-5-8-6-2-1-3-6/h6-7H,1-5H2
• InChIKey: SCDCYOYWYGAEIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutoxyethan-1-ol
• IUPAC Traditional name: 2-cyclobutoxyethanol
• Synonyms: 2-cyclobutoxyethan-1-ol

Database IDs

• MDL Number: MFCD16684705
• PubChem SID: 164291199
• PubChem CID: 21596552

CALCULATED PROPERTIES

• Acid pKa: 15.120598
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.34458062
• LogD (pH = 7.4): 0.34458062
• Log P: 0.34458062
• Molar Refractivity: 31.117 cm^3
• Polarizability: 12.376324 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.167

Product Information

• Purity: 95%