The Bis(1-ethyl(3-oxetanil)methyl) ether, with the CAS registry number 18934-00-4, is also known as 3-Ethyl-3[[(3-ethyloxetane-3-yl)methoxy]methyl]oxetane. This chemical's molecular formula is C12H22O3 and molecular weight is 214.30. What's more, its systematic name is 3,3'-[Oxybis(methylene)]bis(3-ethyloxetane). Its classification codes are: (1)TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA]; (2)TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of Bis(1-ethyl(3-oxetanil)methyl) ether are: (1)ACD/LogP: 1.191; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 4.74; (6)ACD/BCF (pH 7.4): 4.74; (7)ACD/KOC (pH 5.5): 105.93; (8)ACD/KOC (pH 7.4): 105.93; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 58.429 cm3; (15)Molar Volume: 216.005 cm3; (16)Polarizability: 23.163×10-24cm3; (17)Surface Tension: 39.84 dyne/cm; (18)Density: 0.992 g/cm3; (19)Flash Point: 90.721 °C; (20)Enthalpy of Vaporization: 49.235 kJ/mol; (21)Boiling Point: 274.587 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC1(COC1)CC)CC2(COC2)CC
(2)Std. InChI: InChI=1S/C12H22O3/c1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h3-10H2,1-2H3
(3)Std. InChIKey: FNYWFRSQRHGKJT-UHFFFAOYSA-N
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