HCID3359484

Ethyl 2-butyryl-3-ethoxyacrylate

ethyl 2-(ethoxymethylidene)-3-oxohexanoate

C11H18O4214.26 g/molCAS 125500-84-7

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IDENTITY

结构与身份

标准SMILES: CCCC(=O)C(=COCC)C(=O)OCC
InChIKey: LECIVGGFOMFFFQ-UHFFFAOYSA-N
分子式: C11H18O4
平均分子量: 214.26 g/mol
单同位素质量: 214.12050905

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 52.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 8
重原子: 15
形式电荷: 0
复杂度: 243

ALIASES

名称与别名

共 10 条

ethyl 2-butyryl-3-ethoxyacrylate125500-84-7ethyl 2-(ethoxymethylidene)-3-oxohexanoateHexanoic acid, 2-(ethoxymethylene)-3-oxo-, ethyl esterSCHEMBL7172751DTXSID10391774LECIVGGFOMFFFQ-UHFFFAOYSA-Nethyl 2-butyryl-3-ethoxyprop-2-enoateethyl 2-(ethoxymethylene)-3-oxohexanoateDB-041796

REACTIONS

参与反应

30 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05464781

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uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05464781

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

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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