2-Propenoic acid, 2-methyl-, 1,1'-((3-heptyl-4-pentyl-1,2-cyclohexanediyl)bis(9,1-nonanediyliminocarbonyloxy-2,1-ethanediyl)) ester | 869488-57-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Propenoic acid, 2-methyl-, 1,1'-((3-heptyl-4-pentyl-1,2-cyclohexanediyl)bis(9,1-nonanediyliminocarbonyloxy-2,1-ethanediyl)) ester
• 英文别名: 2-[9-[3-heptyl-2-[9-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]nonyl]-4-pentylcyclohexyl]nonylcarbamoyloxy]ethyl 2-methylprop-2-enoate
• CAS: 869488-57-3
• 化学式: C₅₀H₉₀N₂O₈
• 分子量: 847.3
• InChiKey: DHMRFEJJKVWECW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.7
• 重原子数：
  60
• 可旋转键数：
  42
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Dimer Acid-Derived Dimethacrylates and Use in Dental Restorative Compositions
  申请人：Stansbury Jeffrey W.

  公开号：US20080318188A1

  公开（公告）日：2008-12-25

  The present invention provides polymerizable dental compositions comprising a dimer acid-derived monomer such as a dimer acid-derived di(meth)acrylate monomer. In one embodiment, the dimer acid-derived monomer is of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are independently selected from H and optionally substituted C 1 -C 25 straight-chained or branched aliphatic, optionally containing 1 or more double or triple bonds, wherein one or more carbons are optionally replaced by R* wherein R* is —C(O)—, —C(O)C(O)—, —C(O)NR 7 —, —C(O)NR 7 NR 8 —, —C(O)O—, —OC(O)—, —NR 7 CO 2 —, —O—, —NR 7 C(O)NR 8 —, —OC(O)NR 7 —, —NR 7 NR 8 —, —NR 7 C(O)—, —NR 7 C(O)O—, —S—, —SO—, —SO 2 —, —NR 7 —, —SO 2 NR 7 — or —NR 7 SO 2 —, where R 7 and R 8 are independently selected from H and optionally substituted aliphatic, cycloalkyl, heterocycloalkyl, aryl or heteroaryl; provided that at least two of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are substituted C 1-25 straight-chained or branched aliphatic wherein at least one carbon is replaced by R* and at least one of the substituents is an alkenyl group.
• US8727775B2
  申请人：——

  公开号：US8727775B2

  公开（公告）日：2014-05-20