2-(5,6-dihydro-1,4-dioxin-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 310100
• Molecular Formular: C10H17BO4
• Molecular Mass: 212.05058
• Monoisotopic Mass: 212.12198942
• SMILES: B1(C2=COCCO2)OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1=COCCO1
• InChI: InChI=1S/C10H17BO4/c1-9(2)10(3,4)15-11(14-9)8-7-12-5-6-13-8/h7H,5-6H2,1-4H3
• InChIKey: PQUXXLGCBJLNMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,6-dihydro-1,4-dioxin-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(5,6-dihydro-1,4-dioxin-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-dioxine

Database IDs

• MDL Number: MFCD13182121

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2368
• LogD (pH = 7.4): 2.2368
• Log P: 2.2368
• Molar Refractivity: 60.4173 cm^3
• Polarizability: 22.221136 Å^3
• Polar Surface Area: 36.92 Å^2