2308574-23-2 ((5-O-(4-formyl-2-methoxyphenyl) 1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pentanedioate)

CAS号:
2308574-23-2
英文名称:
5-O-(4-formyl-2-methoxyphenyl) 1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pentanedioate
分子式:
C23H32O6
分子量:
404.496587753296

5-O-(4-formyl-2-methoxyphenyl) 1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pentanedioate(2308574-23-2)名称与标识符

名称

英文别名:
PM2PX7A8SG;FEMA NO. 4958;4-Formyl-2-methoxyphenyl l-menthyl glutarate;4-Formyl-2-methoxyphenyl-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl pentanedioate;1-(4-Formyl-2-methoxyphenyl) 5-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] pentanedioate;Pentanedioic acid, 1-(4-formyl-2-methoxyphenyl) 5-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester;5-O-(4-formyl-2-methoxyphenyl) 1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pentanedioate;

标识符

InChIKey:
NTQGYDCZGXFSTE-IMFGXOCKSA-N
Inchi:
1S/C23H32O6/c1-15(2)18-10-8-16(3)12-20(18)29-23(26)7-5-6-22(25)28-19-11-9-17(14-24)13-21(19)27-4/h9,11,13-16,18,20H,5-8,10,12H2,1-4H3/t16-,18+,20-/m1/s1
SMILES:
O(C(CCCC(=O)OC1C=CC(C=O)=CC=1OC)=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C

5-O-(4-formyl-2-methoxyphenyl) 1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pentanedioate(2308574-23-2)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 11
  • 重原子数量 : 29
  • 复杂度 : 546
  • 疏水参数计算参考值(XlogP) : 4.7
  • 拓扑分子极性表面积 : 78.9