1,21-Docosadiene

The CAS register number of 1,21-Docosadiene is 53057-53-7. The systematic name about this chemical is docosa-1,21-diene. The molecular formula about this chemical is C₂₂H₄₂ and the molecular weight is 306.56888. When you are using this chemical, avoid contact with skin and eyes.

Physical properties about 1,21-Docosadiene are: (1)ACD/LogP: 11.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.43; (4)ACD/LogD (pH 7.4): 11.43; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 19; (10)Index of Refraction: 1.454; (11)Molar Refractivity: 103.42 cm³; (12)Molar Volume: 381.8 cm³; (13)Polarizability: 40.99x10^-24cm³; (14)Surface Tension: 28.9 dyne/cm; (15)Density: 0.802 g/cm³; (16)Flash Point: 162.3 °C; (17)Enthalpy of Vaporization: 60.28 kJ/mol; (18)Boiling Point: 379.4 °C at 760 mmHg; (19)Vapour Pressure: 1.28E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by C₁₁H₂₁ClMg and C₈H₁₄BrO₂(1-)*Br(1-)*Mg(2+). This reaction will need reagent of Li₂CuCl₄ and solvent of tetrahydrofuran, diethyl ether. The reaction time is 3.5 hours with reaction temperature of -20 - 25 °C. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\CCCCCCCCCCCCCCCCCC\C=C
(2)InChI: InChI=1/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
(3)InChIKey: RBJABTJRYMHYOP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-22H2
(5)Std. InChIKey: RBJABTJRYMHYOP-UHFFFAOYSA-N