[(2R)-oxiran-2-yl]methyl butanoate

• ChemBase ID: 796171
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C(=O)(CCC)OC[C@@H]1OC1
• Canonical SMILES: CCCC(=O)OC[C@H]1CO1
• InChI: InChI=1S/C7H12O3/c1-2-3-7(8)10-5-6-4-9-6/h6H,2-5H2,1H3/t6-/m1/s1
• InChIKey: YLNSNVGRSIOCEU-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-oxiran-2-yl]methyl butanoate
• IUPAC Traditional name: (2R)-oxiran-2-ylmethyl butanoate
• Synonyms: (R)-Glycidyl butyrate

Database IDs

• CAS Number: 60456-26-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.90891945
• LogD (pH = 7.4): 0.90891945
• Log P: 0.90891945
• Molar Refractivity: 35.3854 cm^3
• Polarizability: 14.39813 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%