(3,4-dihydro-2H-pyran-6-yl)methanol

• ChemBase ID: 796301
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: C(O)C1=CCCCO1
• Canonical SMILES: OCC1=CCCCO1
• InChI: InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h3,7H,1-2,4-5H2
• InChIKey: LHSFBWKMYRCCQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dihydro-2H-pyran-6-yl)methanol
• IUPAC Traditional name: 5,6-dihydro-4H-pyran-2-ylmethanol
• Synonyms: (3,4-Dihydro-2H-pyran-6-yl)Methanol

Database IDs

• CAS Number: 72081-17-5

CALCULATED PROPERTIES

• Acid pKa: 14.429245
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.012324021
• LogD (pH = 7.4): 0.012323981
• Log P: 0.012324022
• Molar Refractivity: 32.6104 cm^3
• Polarizability: 12.130255 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%