癸酸与二季戊四醇、庚酸、异壬酸和辛 酸的混合酯
Decanoic acid;heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;7-methyloctanoic acid;octanoic acid · CAS 118685-22-6
- 中文名
- 癸酸与二季戊四醇、庚酸、异壬酸和辛 酸的混合酯
- 中文别名
- 暂无
- 英文名
- Decanoic acid;heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;7-methyloctanoic acid;octanoic acid
- CAS
- 118685-22-6
- CID
- 170853085
- IUPAC 名称
- decanoic acid;heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;7-methyloctanoic acid;octanoic acid
名称与编号
- 中文名
- 癸酸与二季戊四醇、庚酸、异壬酸和辛 酸的混合酯
- 中文别名
- 暂无
- 英文名
- Decanoic acid;heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;7-methyloctanoic acid;octanoic acid
- CAS
- 118685-22-6
- CID
- 170853085
- IUPAC 名称
- decanoic acid;heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;7-methyloctanoic acid;octanoic acid
分子属性
- 分子式
- C44H90O15
- 分子量
- 859.2 g/mol
- 精确质量
- 858.62797216 Da
- 单同位素质量
- 858.62797216 Da
- XLogP
- 暂无
- 极性表面积
- 280 Ų
- 氢键供体
- 10
- 氢键受体
- 15
- 可旋转键
- 35
- 重原子数
- 59
- 净电荷
- 0
- 结构复杂度
- 539
结构标识
- InChIKey
- AYIUHWIKSHWJON-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCC(=O)O.CC(C)CCCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O
- InChI
- InChI=1S/C10H22O7.C10H20O2.C9H18O2.C8H16O2.C7H14O2/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16;1-2-3-4-5-6-7-8-9-10(11)12;1-8(2)6-4-3-5-7-9(10)11;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9/h11-16H,1-8H2;2-9H2,1H3,(H,11,12);8H,3-7H2,1-2H3,(H,10,11);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9)