3-(3-ethoxycarbonyl-3-ethyl-2-oxo-cyclohexyl)-propionic acid ethyl ester | 854919-36-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-(3-ethoxycarbonyl-3-ethyl-2-oxo-cyclohexyl)-propionic acid ethyl ester
• 英文别名: 3-(3-Aethoxycarbonyl-3-aethyl-2-oxo-cyclohexyl)-propionsaeure-aethylester
• CAS: 854919-36-1
• 化学式: C₁₆H₂₆O₅
• 分子量: 298.379
• InChiKey: BDCVEFGCMQLYMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-(3-ethoxycarbonyl-3-ethyl-2-oxo-cyclohexyl)-propionic acid ethyl ester 在 盐酸 作用下， 生成 3-(3-乙基-2-氧代环己基)丙酸
  参考文献：
  名称：

  Roughness scaling and sensitivity to initial conditions in a symmetric restricted ballistic deposition model

  摘要：

  In this work, we introduce a restricted ballistic deposition model with symmetric growth rules that favors the formation of local finite slopes. It is the simplest model which, even without including a diffusive relaxation mode of the interface, leads to a macroscopic groove instability By employing a finite-size scaling of numerical simulation data, we determine the scaling behavior of the surface structure grown over a one-dimensional substrate of linear size L. We found that the surface profile develops a macroscopic groove with the asymptotic surface width scaling as w(sat) proportional to L-alpha, with alpha = 1. The early-time dynamics is governed by the scaling law w proportional to t(beta), with beta = 1/2. We further investigate the sensitivity to initial conditions of the present model by applying damage spreading techniques. We find that the early-time distance between two initially close surface configurations grows in a ballistic fashion as D proportional to t, but a slower Brownian-like scaling (D proportional to t(1/2)) sets up for evolution times much larger than a characteristic time scale t(x) proportional to L-2.

  DOI：

  10.1007/s100510070110
• 作为产物：
  描述：

  碘乙烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium 、 苯 作用下， 生成 3-(3-ethoxycarbonyl-3-ethyl-2-oxo-cyclohexyl)-propionic acid ethyl ester
  参考文献：
  名称：

  Roughness scaling and sensitivity to initial conditions in a symmetric restricted ballistic deposition model

  摘要：

  In this work, we introduce a restricted ballistic deposition model with symmetric growth rules that favors the formation of local finite slopes. It is the simplest model which, even without including a diffusive relaxation mode of the interface, leads to a macroscopic groove instability By employing a finite-size scaling of numerical simulation data, we determine the scaling behavior of the surface structure grown over a one-dimensional substrate of linear size L. We found that the surface profile develops a macroscopic groove with the asymptotic surface width scaling as w(sat) proportional to L-alpha, with alpha = 1. The early-time dynamics is governed by the scaling law w proportional to t(beta), with beta = 1/2. We further investigate the sensitivity to initial conditions of the present model by applying damage spreading techniques. We find that the early-time distance between two initially close surface configurations grows in a ballistic fashion as D proportional to t, but a slower Brownian-like scaling (D proportional to t(1/2)) sets up for evolution times much larger than a characteristic time scale t(x) proportional to L-2.

  DOI：

  10.1007/s100510070110