16-Heptadecenoic acid

The CAS register number of 16-Heptadecenoic acid is 65119-97-3. It also can be called as w-Heptadecenoic acid and the systematic name about this chemical is heptadec-16-enoic acid. The molecular formula about this chemical is  C₁₇H₃₂O₂ and the molecular weight is 268.43.

Physical properties about 16-Heptadecenoic acid are: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 26714.28; (6)ACD/BCF (pH 7.4): 428.56; (7)ACD/KOC (pH 5.5): 30477.19; (8)ACD/KOC (pH 7.4): 488.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 82.09 cm³; (15)Molar Volume: 298.8 cm³; (16)Polarizability: 32.54x10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.898 g/cm³; (19)Flash Point: 278.2 °C; (20)Enthalpy of Vaporization: 69.13 kJ/mol; (21)Boiling Point: 381.4 °C at 760 mmHg; (22)Vapour Pressure: 7.14E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by 11-bromo-undecanoic acid and 5-hexenylmagnesium bromide. This reaction will need reagent of EtMgBr, Li₂CuCl₄. This reaction needs two steps. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCC\C=C
(2)InChI: InChI=1/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2H,1,3-16H2,(H,18,19)
(3)InChIKey: KMWWFKLFHOTNEH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2H,1,3-16H2,(H,18,19)
(5)Std. InChIKey: KMWWFKLFHOTNEH-UHFFFAOYSA-N