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

• ChemBase ID: 286129
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: C1(C(O)C)COCC1
• Canonical SMILES: CC(C1COCC1)O
• InChI: InChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3
• InChIKey: ARDSHQRPKXPELC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18366186
• PubChem SID: 180671660
• PubChem CID: 59594973

CALCULATED PROPERTIES

• Acid pKa: 15.193134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.083227135
• LogD (pH = 7.4): -0.08322714
• Log P: -0.083227135
• Molar Refractivity: 31.2738 cm^3
• Polarizability: 12.376324 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.633

Product Information

• Purity: 95%