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Water decoupling blasting is an efficient method that can significantly improve blasting effects. A three-dimensional (3D) numerical investigation is conducted using the multimaterial Arbitrary Lagrangian Eulerian (ALE) method to deepen the understanding of the method. The blasting effects and pressure attenuation regularities for coupling, air and water decoupling blasting are compared to reveal the fracture mechanism for water decoupling blasting. The simulated results indicate that water is desirable to transmit blasting pressure, because it slows the blasting pressure attenuation and improves the blasting effect. Quantitative analysis of the radial, axial, and radial–axial decoupling charges is performed to optimize the charge structure. The radial decoupling charge is a better charge structure, which results in a more uniform blasting energy distribution. With the increase in the radial decoupled coefficients, the blasting pressure attenuation index first decreases and then increases. The analysis results indicate that 1.5 is the optimal radial decoupling coefficient, which can achieve the highest energy utilization efficiency. The simulated results for radial–axial decoupling blasting show that the rock failure regularities of radial or axial decoupling blasting exist in radial–axial decoupling blasting. By comparing the blasting effect of four commonly used explosives, trinitrotoluene (TNT), which has high blasting pressure, detonation velocity, and initial internal energy density, is the optimal explosive in water decoupling blasting, which is different from coupling blasting. [ABSTRACT FROM AUTHOR]