六异壬酸二聚季戊四醇酯
Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[oxybis[2,2-bis[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-3,1-propanediyl]] ester · CAS 65870-97-5
- 中文名
- 六异壬酸二聚季戊四醇酯
- 中文别名
- 暂无
- 英文名
- Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[oxybis[2,2-bis[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-3,1-propanediyl]] ester
- CAS
- 65870-97-5
- CID
- 90684455
- IUPAC 名称
- [3-(3,5,5-trimethylhexanoyloxy)-2-[[3-(3,5,5-trimethylhexanoyloxy)-2,2-bis(3,5,5-trimethylhexanoyloxymethyl)propoxy]methyl]-2-(3,5,5-trimethylhexanoyloxymethyl)propyl] 3,5,5-trimethylhexanoate
名称与编号
- 中文名
- 六异壬酸二聚季戊四醇酯
- 中文别名
- 暂无
- 英文名
- Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[oxybis[2,2-bis[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-3,1-propanediyl]] ester
- CAS
- 65870-97-5
- CID
- 90684455
- IUPAC 名称
- [3-(3,5,5-trimethylhexanoyloxy)-2-[[3-(3,5,5-trimethylhexanoyloxy)-2,2-bis(3,5,5-trimethylhexanoyloxymethyl)propoxy]methyl]-2-(3,5,5-trimethylhexanoyloxymethyl)propyl] 3,5,5-trimethylhexanoate
分子属性
- 分子式
- C64H118O13
- 分子量
- 1095.6 g/mol
- 精确质量
- 1094.85724381 Da
- 单同位素质量
- 1094.85724381 Da
- XLogP
- 17.6
- 极性表面积
- 167 Ų
- 氢键供体
- 0
- 氢键受体
- 13
- 可旋转键
- 46
- 重原子数
- 77
- 净电荷
- 0
- 结构复杂度
- 1450
结构标识
- InChIKey
- GJIDQGCYINNRBJ-UHFFFAOYSA-N
- SMILES
- CC(CC(=O)OCC(COCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
- InChI
- InChI=1S/C64H118O13/c1-45(31-57(7,8)9)25-51(65)72-39-63(40-73-52(66)26-46(2)32-58(10,11)12,41-74-53(67)27-47(3)33-59(13,14)15)37-71-38-64(42-75-54(68)28-48(4)34-60(16,17)18,43-76-55(69)29-49(5)35-61(19,20)21)44-77-56(70)30-50(6)36-62(22,23)24/h45-50H,25-44H2,1-24H3