2-(2,5-dimethylfuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 291123
• Molecular Formular: C12H19BO3
• Molecular Mass: 222.08846
• Monoisotopic Mass: 222.14272487
• SMILES: CC1(C)C(C)(C)OB(c2c(C)oc(C)c2)O1
• Canonical SMILES: Cc1oc(c(c1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C12H19BO3/c1-8-7-10(9(2)14-8)13-15-11(3,4)12(5,6)16-13/h7H,1-6H3
• InChIKey: GVUTUOFGFDJPIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethylfuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(2,5-dimethylfuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(2,5-Dimethylfuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 1025718-96-0
• MDL Number: MFCD12405448
• PubChem SID: 180676654
• PubChem CID: 53217125

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1136
• LogD (pH = 7.4): 3.1136
• Log P: 3.1136
• Molar Refractivity: 58.5259 cm^3
• Polarizability: 24.399883 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%