dimethyl-2,6 octene-2 one-4 | 124708-35-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: dimethyl-2,6 octene-2 one-4
• 英文别名: 2,6-Dimethyloct-2-en-4-one
• CAS: 124708-35-6
• 化学式: C₁₀H₁₈O
• 分子量: 154.252
• InChiKey: PZMVSRNMVXJPTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  dimethyl-2,6 octene-1 one-4 生成 dimethyl-2,6 octene-2 one-4
  参考文献：
  名称：

  EL-JAZOULI, MUSTAPHA;LAGE, NADIA;MASSON, SERGE;THUILLIER, ANDRE, BULL. SOC. CHIM. FR. PT 1,(1988) NEPT. - OCT., C. 883-888

  摘要：

  DOI：

文献信息

• El-Jazouli, Mustapha; Lage, Nadia; Masson, Serge, Bulletin de la Societe Chimique de France, 1988, # 5, p. 883 - 888
  作者：El-Jazouli, Mustapha、Lage, Nadia、Masson, Serge、Thuillier, Andre

  DOI：——

  日期：——
• Spectroscopic determination of enantiomeric purity
  申请人：Busch Kenneth W.

  公开号：US20090302207A1

  公开（公告）日：2009-12-10

  A new method and strategy for the quantitative determination of enantiomeric purity that combines polarimetry, spectroscopy, and chemometric modeling. Spectral data is collected after a light beam is passed through a first polarimeter, a sample of a chiral compound, and a second polarimeter oriented at a 45 degree angle relative to the first polarimeter. The spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-1”) regression. The PLS-1 regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity.