Spiro<5,5>undecanol-1-on-3 | 30834-46-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Spiro<5,5>undecanol-1-on-3
• 英文别名: 5-Hydroxyspiro[5.5]undecan-3-one
• CAS: 30834-46-9
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: YLRLQFOFHOHZIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-Formyl-1-(3-oxobutyl)cyclohexane 生成 Spiro<5,5>undecanol-1-on-3
  参考文献：
  名称：

  NMR-based molecular ruler for determining the depth of intercalants within the lipid bilayer

  摘要：

  The development of "molecular rulers" would allow one to quantitatively locate intercalants within the liposomal bilayer. To this end, we have attempted to correlate the C-13 NMR chemical shift of a polarizable "reporter" carbon (e.g., carbonyl) of the intercalant-with the E-T(30) polarity it experiences, and with its Angstrom distance from the interface. This requires families of molecules with the same two "reporter carbons" separated by a fixed distance, residing at various depths/polarities within the bilayer. The families studied included 4,4-dialkylcyclohexa-2,5-dienones 1, benzenediacetic esters 15, benzenedipropionic esters 17, 4-alkoxybenzaldehydes 19 and methyl 4-alkoxybenzoates 22. These compounds possessed the following characteristics: (1) a planar backbone; (2) polar/hydrophilic "head" groups: (3) modular hydrophobic tails; (4) large changes in the C-13 NMR chemical shift (Delta delta) of the reporter atoms with sol- vent polarity. These studies revealed a fifth requirement, namely: (5) the reporter carbons must not be strongly conjugated, lest it reflect the charge build-up at another site within the conjugated system. (C) 2008 Elsevier Ireland Ltd. All rights reserved.

  DOI：

  10.1016/j.chemphyslip.2008.07.004

文献信息

• Christol,H. et al., Bulletin de la Societe Chimique de France, 1970, p. 4468 - 4471
  作者：Christol,H. et al.

  DOI：——

  日期：——