(3-Methyl-5-oxohexan-3-yl) 2-methoxy-2-phenylacetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-Methyl-5-oxohexan-3-yl) 2-methoxy-2-phenylacetate
• 英文别名: (3-methyl-5-oxohexan-3-yl) 2-methoxy-2-phenylacetate
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.34
• InChiKey: QGTBIPXFMAIQDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] IMPROVED FUEL MARKERS<br/>[FR] MARQUEURS DE COMBUSTIBLE AMÉLIORÉS
  申请人：INTER EURO TECHNOLOGY LTD

  公开号：WO2014083186A2

  公开（公告）日：2014-06-05

  There is provided a compound comprising the general structure (I) in which, X is N or O; R3 is OR4 or R4; wherein when X is N, R1 is H, R5 or OR6; R2 is OC(O)R7; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein when X is O, R2 is absent; R1 is H, R5 or OR6, CH(OR8)R9; and R4 is R5, OR5 or aryl, which is unsubstituted or substituted with at least one of R5 or OR6, OC(O)R7, C(O)R8, OR9, C(H)(OR')2 or C(R10)(OR')2; wherein R5, R6, R7, R8, R9, and R10 are independently selected from linear or branched C1–C20 alkyl or OH; and R' is independently selected from linear or branched C1–C20 alkyl, or may together form a cyclic aliphatic ring having from 2 to 40 carbon atoms.