(5-methyloxolan-2-yl)methanol

• ChemBase ID: 244586
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: O1C(CCC1C)CO
• Canonical SMILES: CC1CCC(O1)CO
• InChI: InChI=1S/C6H12O2/c1-5-2-3-6(4-7)8-5/h5-7H,2-4H2,1H3
• InChIKey: PCZHHBOJPSQUNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyloxolan-2-yl)methanol
• IUPAC Traditional name: (5-methyloxolan-2-yl)methanol
• Synonyms: (5-methyloxolan-2-yl)methanol

Database IDs

• MDL Number: MFCD00010085
• PubChem SID: 164300496
• PubChem CID: 41171

CALCULATED PROPERTIES

• Acid pKa: 14.676673
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.31658697
• LogD (pH = 7.4): 0.31658697
• 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): 0.357

Product Information

• Purity: 95%