oxetan-2-ylmethanol

• ChemBase ID: 65354
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: C1COC1CO
• Canonical SMILES: OCC1CCO1
• InChI: InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2
• InChIKey: PQZJTHGEFIQMCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxetan-2-ylmethanol; (oxetan-2-yl)methanol
• IUPAC Traditional name: oxetan-2-ylmethanol
• Synonyms: 2-Oxetanemethanol; Oxetan-2-ylmethanol

Database IDs

• CAS Number: 61266-70-4
• MDL Number: MFCD00142933
• PubChem SID: 162031093
• PubChem CID: 12284142

CALCULATED PROPERTIES

• Acid pKa: 14.673361
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6173507
• LogD (pH = 7.4): -0.61735076
• Log P: -0.6173507
• Molar Refractivity: 21.8714 cm^3
• Polarizability: 8.717666 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%