2-(oxetan-3-yl)ethan-1-ol

• ChemBase ID: 61777
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: C(CC1COC1)O
• Canonical SMILES: OCCC1COC1
• InChI: InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2
• InChIKey: LBOMVZHWFXVFLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxetan-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-(oxetan-3-yl)ethanol
• Synonyms: 2-(Oxetan-3-yl)ethanol

Database IDs

• CAS Number: 251922-46-0
• MDL Number: MFCD17215859
• PubChem SID: 162027518
• PubChem CID: 10844345

CALCULATED PROPERTIES

• Acid pKa: 15.957506
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.49980217
• LogD (pH = 7.4): -0.49980217
• Log P: -0.49980217
• Molar Refractivity: 26.855 cm^3
• Polarizability: 10.544464 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%