HCID15045166

(+/-)-cis-1,1-Dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2acetate

tert-butyl 2-[(2R,4R)-2-(cyanomethyl)-1,5-dioxaspiro[5.5]undecan-4-yl]acetate

C17H27NO4309.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC2(CCCCC2)O1
InChIKey: DZAACSDQUYYKHI-ZIAGYGMSSA-N
分子式: C17H27NO4
平均分子量: 309.4 g/mol
单同位素质量: 309.19400834

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 68.6 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 439

ALIASES

名称与别名

共 5 条

SCHEMBL14163180DZAACSDQUYYKHI-ZIAGYGMSSA-N(+/-)-cis-1,1-dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5 ]undecane-2-acetate(+/-)-cis-1,1-dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2-acetate(+/-)-cis-1,1-dimethylethyl 4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2acetate

REACTIONS