[(2R)-1,4-dioxan-2-yl]methanol

• ChemBase ID: 798002
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: C(O)[C@H]1OCCOC1
• Canonical SMILES: OC[C@@H]1COCCO1
• InChI: InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m1/s1
• InChIKey: CMEPUAROFJSGJN-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-1,4-dioxan-2-yl]methanol
• IUPAC Traditional name: (2R)-1,4-dioxan-2-ylmethanol
• Synonyms: (R)-[1,4]Dioxan-2-yl-methanol

Database IDs

• CAS Number: 406913-88-0

CALCULATED PROPERTIES

• Acid pKa: 14.602924
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.72428596
• LogD (pH = 7.4): -0.72428596
• Log P: -0.72428596
• Molar Refractivity: 28.0495 cm^3
• Polarizability: 11.2896 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%