5,6-dibutyl-5-(4'-nitrophenyl)-6-(3-fluorophenyl)decane | 131237-45-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 5,6-dibutyl-5-(4'-nitrophenyl)-6-(3-fluorophenyl)decane
• 英文别名: 1-[5,6-Dibutyl-6-(4-nitrophenyl)decan-5-yl]-3-fluorobenzene；1-[5,6-dibutyl-6-(4-nitrophenyl)decan-5-yl]-3-fluorobenzene
• CAS: 131237-45-1
• 化学式: C₃₀H₄₄FNO₂
• 分子量: 469.683
• InChiKey: JORJNAGACPUPPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  34
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-壬酮 在 硝酸 、 乙酸酐 作用下， 生成 5,6-dibutyl-5-(4'-nitrophenyl)-6-(3-fluorophenyl)decane
  参考文献：
  名称：

  X-ray studies of sterically congested diphenylethane derivatives. Substituent effect on carbon-carbon bond length

  摘要：

  Crystal structures of several sterically strained diphenylethane derivatives have been obtained. The central C-C bond lengths in these compounds span 1.623 (7) to 1.649 (4) angstrom but are independent of substitution on the phenyl ring.

  DOI：

  10.1021/jo00002a022

文献信息

• X-ray studies of sterically congested diphenylethane derivatives. Substituent effect on carbon-carbon bond length
  作者：Przemyslaw Maslak、Javier N. Narvaez、Masood Parvez

  DOI：10.1021/jo00002a022

  日期：1991.1

  Crystal structures of several sterically strained diphenylethane derivatives have been obtained. The central C-C bond lengths in these compounds span 1.623 (7) to 1.649 (4) angstrom but are independent of substitution on the phenyl ring.