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

• ChemBase ID: 287984
• Molecular Formular: C16H19BO2
• Molecular Mass: 254.13186
• Monoisotopic Mass: 254.14781025
• SMILES: CC1(C)OB(OC1(C)C)c1cccc2c1cccc2
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc2c1cccc2
• InChI: InChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3
• InChIKey: WQGRAXGAXSNSDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 68716-52-9
• MDL Number: MFCD05663869
• PubChem SID: 180673515
• PubChem CID: 2760174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9026
• LogD (pH = 7.4): 4.9026
• Log P: 4.9026
• Molar Refractivity: 72.1633 cm^3
• Polarizability: 31.603622 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%