HCID53395197

2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-enal

C15H20O216.32 g/molCAS 67468-55-7

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IDENTITY

结构与身份

标准SMILES: CCC(C)(C)c1ccc(C=C(C)C=O)cc1
InChIKey: VYLZDKRGDLITAA-UHFFFAOYSA-N
分子式: C15H20O
平均分子量: 216.32 g/mol
单同位素质量: 216.15141526

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 255

ALIASES

名称与别名

共 9 条

67468-55-73-[4-(1,1-Dimethylpropyl)phenyl]-2-methyl-2-propenal2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-enalAmorolfine Impurity 50SCHEMBL11459683DTXSID60694085VYLZDKRGDLITAA-UHFFFAOYSA-N3-(p-tert.amyl-phenyl)-2-methyl-acrolein3-(p-tert.amyl -phenyl)-2-methyl-acrolein

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1980_05 · 10.6084/m9.figshare.5104873.v1 · US04202894

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uspto-grants-1980_05 · 10.6084/m9.figshare.5104873.v1 · US04202894

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uspto-grants-1980_05 · 10.6084/m9.figshare.5104873.v1 · US04202894

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