2,6-dimethyloxan-4-ol

• ChemBase ID: 797989
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: O1C(CC(CC1C)O)C
• Canonical SMILES: OC1CC(C)OC(C1)C
• InChI: InChI=1S/C7H14O2/c1-5-3-7(8)4-6(2)9-5/h5-8H,3-4H2,1-2H3
• InChIKey: BHFMWPOZZNNSRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyloxan-4-ol
• IUPAC Traditional name: 2,6-dimethyloxan-4-ol
• Synonyms: 2,6-Dimethyl-tetrahydro-pyran-4-ol

Database IDs

• CAS Number: 33747-09-0

CALCULATED PROPERTIES

• Acid pKa: 15.09431
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.27575907
• LogD (pH = 7.4): 0.27575907
• Log P: 0.27575907
• Molar Refractivity: 35.5744 cm^3
• Polarizability: 14.211557 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%