7382-29-8 ((2,5,8,11-tetraoxatridecane)

快速询单

结构式：

2,5,8,11-tetraoxatridecaneMOL文件

CAS号：

7382-29-8

英文名称：

2,5,8,11-tetraoxatridecane

分子式：

C₉H₂₀O₄

分子量：

192.252703666687

2,5,8,11-tetraoxatridecane(7382-29-8)名称与标识符

名称

英文别名：

2,5,8,11-tetraoxatridecane;1-[2-(2-ethoxyethoxy)ethoxy]-2-methoxyethane;NS00037560;7382-29-8;EINECS 230-952-4;PGF;Q27464409;DTXSID00224269;SCHEMBL272569;JRRDISHSXWGFRF-UHFFFAOYSA-N;

标识符

InChIKey：

JRRDISHSXWGFRF-UHFFFAOYSA-N

Inchi：

1S/C9H20O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3-9H2,1-2H3

SMILES：

O(CCOCC)CCOCCOC

2,5,8,11-tetraoxatridecane(7382-29-8)物化性质

实验特性

PSA : 36.92

计算特性

精确分子量 : 192.1362
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 10
同位素质量 : 192.13615911g/mol
重原子数量 : 13
复杂度 : 87.7
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） : -0.1
拓扑分子极性表面积 : 36.9Å²

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