Pentanoic acid,5-bromo-2,2-dimethyl-4-oxo-, ethyl ester (154325-75-4)

The CAS register number of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate is 154325-75-4. It also can be called as Pentanoic acid,5-bromo-2,2-dimethyl-4-oxo-, ethyl ester and the systematic name about this chemical is ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate. It belongs to the following product categories, such as All Aliphatics, Aliphatics, Inhibitors, Miscellaneous Reagents and so on.

Physical properties about Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.62; (5)ACD/BCF (pH 7.4): 19.62; (6)ACD/KOC (pH 5.5): 293.03; (7)ACD/KOC (pH 7.4): 293.03; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 43.37Ų; (11)Index of Refraction: 1.469; (12)Molar Refractivity: 53.24 cm³; (13)Molar Volume: 190.9 cm³; (14)Polarizability: 21.1x10^-24cm³; (15)Surface Tension: 35.8 dyne/cm; (16)Enthalpy of Vaporization: 52.95 kJ/mol; (17)Boiling Point: 290.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC(C(=O)OCC)(C)C)CBr
(2)InChI: InChI=1/C9H15BrO3/c1-4-13-8(12)9(2,3)5-7(11)6-10/h4-6H2,1-3H3
(3)InChIKey: LVXCDNNMZJAPOG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H15BrO3/c1-4-13-8(12)9(2,3)5-7(11)6-10/h4-6H2,1-3H3
(5)Std. InChIKey: LVXCDNNMZJAPOG-UHFFFAOYSA-N