2-methyloxan-4-ol

• ChemBase ID: 797981
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: O1C(CC(CC1)O)C
• Canonical SMILES: OC1CCOC(C1)C
• InChI: InChI=1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3
• InChIKey: ZHPKAPJNEIKPGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxan-4-ol
• IUPAC Traditional name: 2-methyloxan-4-ol
• Synonyms: 2-Methyl-tetrahydro-pyran-4-ol

Database IDs

• CAS Number: 89534-37-2

CALCULATED PROPERTIES

• Acid pKa: 15.103162
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.14081594
• LogD (pH = 7.4): -0.14081596
• Log P: -0.14081594
• Molar Refractivity: 31.1556 cm^3
• Polarizability: 12.376324 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%