2-(oxolan-3-yl)propan-2-ol

• ChemBase ID: 235952
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: C(C1COCC1)(O)(C)C
• Canonical SMILES: CC(C1COCC1)(O)C
• InChI: InChI=1S/C7H14O2/c1-7(2,8)6-3-4-9-5-6/h6,8H,3-5H2,1-2H3
• InChIKey: BUGIEPFKYRRGMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yl)propan-2-ol
• IUPAC Traditional name: 2-(oxolan-3-yl)propan-2-ol
• Synonyms: 2-(oxolan-3-yl)propan-2-ol

Database IDs

• MDL Number: MFCD18366026
• PubChem SID: 164291862
• PubChem CID: 57470139

CALCULATED PROPERTIES

• Acid pKa: 14.992269
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19734953
• LogD (pH = 7.4): 0.19734952
• Log P: 0.19734953
• Molar Refractivity: 35.912 cm^3
• Polarizability: 14.211557 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.234

Product Information

• Purity: 95%