The Ethanol,2,2'-[(2-undecyl-4(5H)-oxazolylidene)bis(methyleneoxy)]bis- (9CI), with the CAS registry number 93841-72-6, is also known as 2,2'-((2-Undecyloxazol-4(5H)-ylidene)bis(methyleneoxy))bisethanol. Its EINECS registry number is 299-043-8. This chemical's molecular formula is C20H39NO5 and molecular weight is 373.52736. Its IUPAC name is called 2-[[4-(2-hydroxyethoxymethyl)-2-undecyl-5H-1,3-oxazol-4-yl]methoxy]ethanol.
Physical properties of Ethanol,2,2'-[(2-undecyl-4(5H)-oxazolylidene)bis(methyleneoxy)]bis- (9CI): (1)ACD/LogP: 3.16; (2)ACD/LogD (pH 5.5): 3.15; (3)ACD/LogD (pH 7.4): 3.16; (4)#H bond acceptors: 6; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 20; (7)Index of Refraction: 1.492; (8)Molar Refractivity: 101.44 cm3; (9)Molar Volume: 349.2 cm3; (10)Surface Tension: 38.1 dyne/cm; (11)Density: 1.06 g/cm3; (12)Flash Point: 255.1 °C; (13)Enthalpy of Vaporization: 88.26 kJ/mol; (14)Boiling Point: 498.2 °C at 760 mmHg; (15)Vapour Pressure: 5.17E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC1=NC(CO1)(COCCO)COCCO
(2)InChI: InChI=1S/C20H39NO5/c1-2-3-4-5-6-7-8-9-10-11-19-21-20(18-26-19,16-24-14-12-22)17-25-15-13-23/h22-23H,2-18H2,1H3
(3)InChIKey: LVTVNBZPWLZHIS-UHFFFAOYSA-N
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