4-(3,7-Dimethyloctyloxy)benzeneboronic acid (209673-75-6)

The 4-(3,7-Dimethyloctyloxy)benzeneboronic acid with the CAS number 209673-75-6 is also called boronic acid, B-[4-[(3,7-dimethyloctyl)oxy]phenyl]-. Its molecular formula is C₁₆H₂₇BO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-(3,7-Dimethyloctyloxy)benzeneboronic acid are: (1)ACD/LogP: 5.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 18539; (6)ACD/BCF (pH 7.4): 17691; (7)ACD/KOC (pH 5.5): 39501; (8)ACD/KOC (pH 7.4): 37695; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 81.285 cm³; (15)Molar Volume: 277.983 cm³; (16)Polarizability: 32.224×10^-24cm³; (17)Surface Tension: 37.282 dyne/cm; (18)Enthalpy of Vaporization: 69.969 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(OCCC(C)CCCC(C)C)cc1
(2)InChI: InChI=1/C16H27BO3/c1-13(2)5-4-6-14(3)11-12-20-16-9-7-15(8-10-16)17(18)19/h7-10,13-14,18-19H,4-6,11-12H2,1-3H3
(3)InChIKey: GVOMHDGKWIWKBD-UHFFFAOYAW