(3,3-dimethoxycyclobutyl)methanol

• ChemBase ID: 796950
• Molecular Formular: C7H14O3
• Molecular Mass: 146.18426
• Monoisotopic Mass: 146.09429431
• SMILES: C(O)C1CC(C1)(OC)OC
• Canonical SMILES: OCC1CC(C1)(OC)OC
• InChI: InChI=1S/C7H14O3/c1-9-7(10-2)3-6(4-7)5-8/h6,8H,3-5H2,1-2H3
• InChIKey: PPZLOPBUFOFNKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-dimethoxycyclobutyl)methanol
• IUPAC Traditional name: (3,3-dimethoxycyclobutyl)methanol
• Synonyms: (3,3-DiMethoxycyclobutyl)Methanol

Database IDs

• CAS Number: 175021-11-1

CALCULATED PROPERTIES

• Acid pKa: 15.45276
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.040983625
• LogD (pH = 7.4): -0.04098363
• Log P: -0.040983625
• Molar Refractivity: 37.6643 cm^3
• Polarizability: 14.936832 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%