[(3aR,6R,6aR)-6-(4-butylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methylbenzoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: [(3aR,6R,6aR)-6-(4-butylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-methylbenzoate
• 化学式: C₂₅H₂₈O₆
• 分子量: 424.5
• InChiKey: FPELKZXAMVMHHL-DYJXVCGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• PHOTOCHROMIC COMPOUNDS
  申请人：He Meng

  公开号：US20140154514A1

  公开（公告）日：2014-06-05

  A photochromic compound is provided, which may be a pyran, an oxazine, or a fulgide. The photochromic compound has at least one substituent Q attached thereto, each Q independently being —N 3 , —CN, —COOR′, —CCR′, —C(R′)C(R′)R′, —OCOR′, —OCOOR′, —SR′, —OSO 2 R′″, and/or —CON(R′)R′, wherein each R′ is hydrogen, an unsubstituted or substituted alkyl group having from 1 to 18 carbon atoms; an unsubstituted or substituted aryl group, an unsubstituted or substituted alkene or alkyne group having from 2 to 18 carbon atoms, wherein the substituents are halo or hydroxyl and R′″ is —CF 3 or a perfluorinated alkyl group having from 2 to 18 carbon atoms. The number, locations and nature of the constituents Q are dependent upon the structure of the photochromic compound.
• US9405041B2
  申请人：——

  公开号：US9405041B2

  公开（公告）日：2016-08-02