HCID17993187

5-Isopentyl-3-methylisoxazole

3-methyl-5-(3-methylbutyl)-1,2-oxazole

C9H15NO153.22 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(CCC(C)C)on1
InChIKey: WLAZVVKLXMXIRB-UHFFFAOYSA-N
分子式: C9H15NO
平均分子量: 153.22 g/mol
单同位素质量: 153.1153641

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 26 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 114

ALIASES

名称与别名

共 8 条

5-Isopentyl-3-methylisoxazole107978-58-5SCHEMBL1320486WLAZVVKLXMXIRB-UHFFFAOYSA-N3-Methyl-5-(3-methylbutyl)isoxazole3-methyl-5-(3-methylbutyl)-isoxazoleIsoxazole, 3-methyl-5-(3-methylbutyl)-DB-287738

REACTIONS

参与反应

3 条

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08058447B2

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uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04670109

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uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07989633B2

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