87221-88-3 ((2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-)

快速询单

结构式：

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-MOL文件

CAS号：

87221-88-3

英文名称：

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-

分子式：

C₁₃H₂₀O₂

分子量：

208.296704292297

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-(87221-88-3)名称与标识符

名称

英文别名：

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-;3,5-ditert-butylpyran-2-one;3,5-di-t-butyl-2-pyrone;87221-88-3;3,5-di-tert-butyl-2-pyrone;DTXSID60463713;

标识符

InChIKey：

FDNCDGWCUNETCV-UHFFFAOYSA-N

Inchi：

1S/C13H20O2/c1-12(2,3)9-7-10(13(4,5)6)11(14)15-8-9/h7-8H,1-6H3

SMILES：

O1C=C(C=C(C1=O)C(C)(C)C)C(C)(C)C

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-(87221-88-3)物化性质

计算特性

精确分子量 : 208.146329876g/mol
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 208.146329876g/mol
重原子数量 : 15
复杂度 : 333
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） : 3.7
拓扑分子极性表面积 : 26.3Å²

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87221-88-3 ((2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-)

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-(87221-88-3)名称与标识符

名称

标识符

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-(87221-88-3)物化性质

计算特性

2H-Pyran-2-one, 3,5-bis(1,1-dimethylethyl)-(87221-88-3)相关文献

目录