199484-69-0化工百科

结构式：

199484-69-0MOL文件

CAS号：

199484-69-0

分子式：

C₂₀H₄₀O₂

分子量：

312.530406951904

199484-69-0(199484-69-0)名称与标识符

标识符

InChIKey：

RLCKHJSFHOZMDR-PWCSWUJKSA-N

Inchi：

1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19?/m1/s1

SMILES：

OC(CC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=O

199484-69-0(199484-69-0)物化性质

计算特性

精确分子量 : 312.302830514g/mol
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 14
同位素质量 : 312.302830514g/mol
重原子数量 : 22
复杂度 : 273
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 1
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） : 8.3
拓扑分子极性表面积 : 37.3Å²

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199484-69-0

199484-69-0(199484-69-0)名称与标识符

标识符

199484-69-0(199484-69-0)物化性质

计算特性

199484-69-0(199484-69-0)相关文献

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