The invention relates to a novel technique for preparing long-chain alkane efficiently through a multifunctional catalyst in a one-step method. The novel technique can be used for producing the long-chain alkane in one step with high selectively under a relative mild condition, and solve the problems of strict reaction condition, low energy efficiency and low alkane selectivity in a process of preparing the long-chain alkane by biomass derivatives. According to the technique, condensation products (C8, C9, C13 and C15) of a biomass derivative, namely furfural or HMF (Hydroxy Methyl Furfural), and acetone are taken as the raw materials, and by designing the three-center multifunctional catalyst of metal (I)-metal (II)-acid, the original two steps of independent reactions which require strict reaction conditions and need different catalysts to join in are combined into an one-step reaction which requires tender reaction conditions, so that the selectivity on corresponding alkane (octane, nonane, tridecane and pentadecane) is improved greatly, the highest yield can be 97%, and meanwhile, a step of separating the product from the catalyst is omitted, therefore, the energy efficiency of the while process is improved by a great step.