Specification: |
The (5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide with its cas register number is 41203-81-0. It also can be called as Methylphosphonic acid (5-ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl methyl ester and the IUPAC Name about this chemical is 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
Physical properties about (5-Ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl dimethyl phosphonate P-oxide are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.62; (7)ACD/KOC (pH 7.4): 12.62; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 90.68Å2; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 62.12 cm3; (13)Molar Volume: 236.1 cm3; (14)Polarizability: 24.62x10-24cm3; (15)Surface Tension: 36.7 dyne/cm; (16)Enthalpy of Vaporization: 59.17 kJ/mol; (17)Vapour Pressure: 2.58E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1(COP(=O)(OC1)C)COP(=O)(C)OC
(2)InChI: InChI=1S/C9H20O6P2/c1-5-9(6-13-16(3,10)12-2)7-14-17(4,11)15-8-9/h5-8H2,1-4H3
(3)InChIKey: CFIFBLCPLCPITL-UHFFFAOYSA-N
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