bicyclo<4.2.0>oct-3,4-ene | 13367-26-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: bicyclo<4.2.0>oct-3,4-ene
• 英文别名: Bicyclo[4.2.0]oct-3-ene
• CAS: 13367-26-5
• 化学式: C₈H₁₂
• 分子量: 108.183
• InChiKey: DCRRIOWFXXDTHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  bicyclo<4.2.0>oct-3,4-ene 在 platinum(IV) oxide 作用下， 生成 cis-bicyclo<4.2.0>octane 、 trans-bicyclo<4.2.0>octane
  参考文献：
  名称：

  Ring distortion effect on δ13C values of bicyclo[4.n.0] alkanes

  摘要：

  AbstractThe 13C NMR spectra of trans‐ and cis‐fused bicyclo[4.n.0]alkanes, where n=4, 3 and 2, were determined. The distortion of the six membered ring, which is due to the strain arising from the 1,2 fusion of cyclohexane with a smaller ring, is apparent mainly for the chemical shifts of the ring junction carbons. Both for the trans‐and for the cis‐fused hydrocarbons the results support a cyclohexane in a chair conformation, distorted to a different degree according to the size of the other ring. The geometries of the different compounds in the series were calculated.

  DOI：

  10.1002/mrc.1270190307