110212-61-8 (Isopropyl (triphenylphosphoranylidene)acetate,Isopropyl 2-(triphenyl-lambda5-phosphanylidene)acetate)

CAS号:
110212-61-8
中文名称:
Isopropyl (triphenylphosphoranylidene)acetate
英文名称:
Isopropyl 2-(triphenyl-lambda5-phosphanylidene)acetate
分子式:
C23H23O2P
分子量:
362.401287317276

Isopropyl (triphenylphosphoranylidene)acetate(110212-61-8)名称与标识符

名称

英文别名:
Isopropyl (triphenylphosphoranylidene)acetate;(carboisopropoxymethylene)triphenylphosphorane;Aethinyl-triphenyl-silan;AG-G-28600;silane, ethynyltriphenyl-;ethynyltriphenylsilane;I14-19352;(triphenylsilyl)ethyne;CTK3J1478;360058_ALDRICH;AC1LD5DJ;isopropyl 2-(triphenylphosphoranylidene)acetate;triphenylsilylethyne;ethynyl-triphenyl-silane;triphenylsilylacetylene;(triphenylsilyl)acetylene;i-propoxycarbonylmethylenetriphenylphosphorane;isopropoxycarbonylmethylenetriphenylphosphorane;isoproxycarbonylmethylidene triphenylphosphorane;(Isopropyloxycarbonylmethylene)triphenylphosphorane;(triphenylsilyl)acet;SCHEMBL2392066;propan-2-yl 2-(triphenyl-lambda5-phosphanylidene)acetate;Isopropyl2-(triphenyl-lambda5-phosphanylidene)acetate;AKOS017343041;MFCD16877722;110212-61-8;Isopropyl 2-(triphenyl-lambda5-phosphanylidene)acetate;isopropyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate;

标识符

InChIKey:
KNQMHHOLXMJJGL-UHFFFAOYSA-N
Inchi:
1S/C23H23O2P/c1-19(2)25-23(24)18-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3
SMILES:
P(=CC(=O)OC(C)C)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Isopropyl (triphenylphosphoranylidene)acetate(110212-61-8)物化性质

实验特性

  • PSA : 26.3

计算特性

  • 精确分子量 : 362.14369
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 6
  • 同位素质量 : 362.14356697g/mol
  • 重原子数量 : 26
  • 复杂度 : 440
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.8
  • 拓扑分子极性表面积 : 26.3Ų