3-methoxycyclobutan-1-ol

• ChemBase ID: 247581
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: C1C(CC1OC)O
• Canonical SMILES: COC1CC(C1)O
• InChI: InChI=1S/C5H10O2/c1-7-5-2-4(6)3-5/h4-6H,2-3H2,1H3
• InChIKey: OSYROIVZPXZWOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxycyclobutan-1-ol
• IUPAC Traditional name: 3-methoxycyclobutan-1-ol
• Synonyms: 3-methoxycyclobutan-1-ol

Database IDs

• MDL Number: MFCD21756147
• PubChem SID: 164303491
• PubChem CID: 57579990

CALCULATED PROPERTIES

• Acid pKa: 15.373099
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4976239
• LogD (pH = 7.4): -0.49762392
• Log P: -0.4976239
• Molar Refractivity: 26.407 cm^3
• Polarizability: 10.544464 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.162

Product Information

• Purity: 95%