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

• ChemBase ID: 289299
• Molecular Formular: C10H19BO3
• Molecular Mass: 198.06706
• Monoisotopic Mass: 198.14272487
• SMILES: CC1(C)C(C)(C)OB(C2COCC2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1COCC1
• InChI: InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h8H,5-7H2,1-4H3
• InChIKey: KEBDNHHRQNZXMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-(oxolan-3-yl)-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-(oxolan-3-yl)-1,3,2-dioxaborolane
• Synonyms: 4,4,5,5-Tetramethyl-2-(tetrahydrofuran-3-yl)-1,3,2-dioxaborolane; Tetrahydrofuran-3-boronic acid pinacol ester

Database IDs

• CAS Number: 331958-90-8
• MDL Number: MFCD09878900
• PubChem SID: 180674830
• PubChem CID: 11148297

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2188
• LogD (pH = 7.4): 2.2188
• Log P: 2.2188
• Molar Refractivity: 49.3114 cm^3
• Polarizability: 21.754055 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%