61559-29-3 (4-辛醇，（R）-,4-Octanol, (R)-)

快速询单

结构式：

4-辛醇，（R）-MOL文件

CAS号：

61559-29-3

中文名称：

4-辛醇，（R）-

英文名称：

4-Octanol, (R)-

分子式：

C₈H₁₈O

分子量：

130.227922916412

4-辛醇，（R）-(61559-29-3)名称与标识符

名称

英文别名：

4-Octanol, (R)-;41FAM6MM60;4-Octanol, (4R)-;UNII-41FAM6MM60;4-Octanol, (-)-;(R)-4-Octanol;61559-29-3;

标识符

InChIKey：

WOFPPJOZXUTRAU-MRVPVSSYSA-N

Inchi：

1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1

SMILES：

O[C@H](CCC)CCCC

4-辛醇，（R）-(61559-29-3)物化性质

实验特性

PSA : 20.23

计算特性

精确分子量 : 130.13584
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 5
同位素质量 : 130.135765193g/mol
重原子数量 : 9
复杂度 : 52.5
同位素原子数量 : 0
确定原子立构中心数量 : 1
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） : 2.7
拓扑分子极性表面积 : 20.2Å²

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