(2R)-2-methylbutane-1,2-diol

• ChemBase ID: 810718
• Molecular Formular: C5H12O2
• Molecular Mass: 104.14758
• Monoisotopic Mass: 104.08372962
• SMILES: C([C@@](CC)(O)C)O
• Canonical SMILES: CC[C@](CO)(O)C
• InChI: InChI=1S/C5H12O2/c1-3-5(2,7)4-6/h6-7H,3-4H2,1-2H3/t5-/m1/s1
• InChIKey: DOPZLYNWNJHAOS-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-methylbutane-1,2-diol
• IUPAC Traditional name: (2R)-2-methylbutane-1,2-diol
• Synonyms: (2R)-2-METHYL-1,2-BUTANEDIOL

Database IDs

• CAS Number: 37505-01-4

CALCULATED PROPERTIES

• Acid pKa: 14.043538
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.010995006
• LogD (pH = 7.4): 0.010994908
• Log P: 0.010995007
• Molar Refractivity: 28.1346 cm^3
• Polarizability: 11.190113 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%