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

• ChemBase ID: 282750
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: O1C([C@H](O)C)CCC1
• Canonical SMILES: C[C@H](C1CCCO1)O
• InChI: InChI=1S/C6H12O2/c1-5(7)6-3-2-4-8-6/h5-7H,2-4H2,1H3/t5-,6?/m1/s1
• InChIKey: FGNVEEOZAACRKW-LWOQYNTDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21188303
• PubChem SID: 180668281
• PubChem CID: 71683395

CALCULATED PROPERTIES

• Acid pKa: 14.506871
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.31658697
• LogD (pH = 7.4): 0.31658694
• Log P: 0.31658697
• Molar Refractivity: 30.9348 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): 0.147

Product Information

• Purity: 95%