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

• ChemBase ID: 309170
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: O1CC(CCO)CC1
• Canonical SMILES: OCCC1COCC1
• InChI: InChI=1S/C6H12O2/c7-3-1-6-2-4-8-5-6/h6-7H,1-5H2
• InChIKey: SVNHEBUGYPWWOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yl)ethan-1-ol
• IUPAC Traditional name: 2-(oxolan-3-yl)ethanol
• Synonyms: 2-(tetrahydro-3-furanyl)ethanol

Database IDs

• CAS Number: 130990-25-9
• MDL Number: MFCD17078848

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.096790224
• LogD (pH = 7.4): -0.096790224
• Log P: -0.096790224
• Molar Refractivity: 31.5548 cm^3
• Polarizability: 12.376324 Å^3
• Polar Surface Area: 29.46 Å^2