2-(oxolan-2-yl)ethan-1-ol

• ChemBase ID: 234931
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: O1C(CCO)CCC1
• Canonical SMILES: OCCC1CCCO1
• InChI: InChI=1S/C6H12O2/c7-4-3-6-2-1-5-8-6/h6-7H,1-5H2
• InChIKey: FCAJYRVEBULFKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(oxolan-2-yl)ethanol
• Synonyms: 2-(oxolan-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD19105106
• PubChem SID: 164290841
• PubChem CID: 11989572

CALCULATED PROPERTIES

• Acid pKa: 15.890351
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.0400283
• LogD (pH = 7.4): -0.040028304
• Log P: -0.0400283
• Molar Refractivity: 31.3814 cm^3
• Polarizability: 12.376324 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.096

Product Information

• Purity: 95%