5178-94-9 (1,4-环己二烯，3-丁基-,1,4-Cyclohexadiene, 3-butyl-)

快速询单

结构式：

1,4-环己二烯，3-丁基-MOL文件

CAS号：

5178-94-9

中文名称：

1,4-环己二烯，3-丁基-

英文名称：

1,4-Cyclohexadiene, 3-butyl-

分子式：

C₁₀H₁₆

分子量：

136.234043121338

1,4-环己二烯，3-丁基-(5178-94-9)名称与标识符

名称

英文别名：

1,4-Cyclohexadiene, 3-butyl-;3-butylcyclohexa-1,4-diene;5178-94-9;DTXSID00655251;

标识符

InChIKey：

SWKVOSARGXHSDC-UHFFFAOYSA-N

Inchi：

1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h5-6,8-10H,2-4,7H2,1H3

SMILES：

C1(C=CCC=C1)CCCC

1,4-环己二烯，3-丁基-(5178-94-9)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 136.12528
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 3
同位素质量 : 136.125200510g/mol
重原子数量 : 10
复杂度 : 119
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） : 4.1
拓扑分子极性表面积 : 0Å²

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