HCID19373300

4-Cyclohexyl-1-(pent-4-ynyl)-2,6,7-trioxabicyclo[2,2,2]octane

4-cyclohexyl-1-pent-4-ynyl-2,6,7-trioxabicyclo[2.2.2]octane

C16H24O3264.36 g/mol

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IDENTITY

结构与身份

标准SMILES: C#CCCCC12OCC(C3CCCCC3)(CO1)CO2
InChIKey: ZFVIOOPMXUQNFV-UHFFFAOYSA-N
分子式: C16H24O3
平均分子量: 264.36 g/mol
单同位素质量: 264.17254462

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 27.7 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 337

ALIASES

名称与别名

共 4 条

SCHEMBL9258567ZFVIOOPMXUQNFV-UHFFFAOYSA-N4-Cyclohexyl-1-(pent-4-ynyl)-2,6,7-trioxabicyclo[2,2,2]octane4-Cyclohexyl-1-(pent-4-ynyl)-2,6,7-trioxabicyclo[2.2.2]octane

REACTIONS

参与反应

3 条

uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05466710

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1992_05 · 10.6084/m9.figshare.5104873.v1 · US05116862

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