2-(3,3-diethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 302605
• Molecular Formular: C13H27BO4
• Molecular Mass: 258.16208
• Monoisotopic Mass: 258.20023974
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCC(OCC)OCC
• Canonical SMILES: CCOC(CCB1OC(C(O1)(C)C)(C)C)OCC
• InChI: InChI=1S/C13H27BO4/c1-7-15-11(16-8-2)9-10-14-17-12(3,4)13(5,6)18-14/h11H,7-10H2,1-6H3
• InChIKey: VEDSPUPKZZMMLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,3-diethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(3,3-diethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 3,3-Diethoxy-1-propylboronic acid pinacol ester; 3,3-二乙氧基-1-丙基硼酸频哪醇酯

Database IDs

• CAS Number: 165904-27-8
• MDL Number: MFCD03788723

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8246
• LogD (pH = 7.4): 2.8246
• Log P: 2.8246
• Molar Refractivity: 67.2887 cm^3
• Polarizability: 28.700127 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4280

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%