3-ethoxy-2,2-dimethylcyclobutan-1-ol

• ChemBase ID: 277179
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: C1(C(CC1OCC)O)(C)C
• Canonical SMILES: CCOC1CC(C1(C)C)O
• InChI: InChI=1S/C8H16O2/c1-4-10-7-5-6(9)8(7,2)3/h6-7,9H,4-5H2,1-3H3
• InChIKey: SNZVOCZNCMCBKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-2,2-dimethylcyclobutan-1-ol
• IUPAC Traditional name: 3-ethoxy-2,2-dimethylcyclobutan-1-ol
• Synonyms: 3-ethoxy-2,2-dimethylcyclobutan-1-ol

Database IDs

• MDL Number: MFCD19686348
• PubChem SID: 164333089
• PubChem CID: 53621928

CALCULATED PROPERTIES

• Acid pKa: 14.70324
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8308592
• LogD (pH = 7.4): 0.8308592
• Log P: 0.8308592
• Molar Refractivity: 39.9149 cm^3
• Polarizability: 16.049152 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.589

Product Information

• Purity: 95%