HCID79506

4-Ethylcyclohexanone

4-ethylcyclohexan-1-one

C8H14O126.2 g/molCAS 5441-51-0

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IDENTITY

结构与身份

标准SMILES: CCC1CCC(=O)CC1
InChIKey: OKSDJGWHKXFVME-UHFFFAOYSA-N
分子式: C8H14O
平均分子量: 126.2 g/mol
单同位素质量: 126.10446507

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 97

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 36 条

4-Ethylcyclohexanone5441-51-0Cyclohexanone, 4-ethyl-EINECS 226-629-2DTXSID20202807NSC 21120RefChem:522858DTXCID10125298226-629-24-ethylcyclohexan-1-oneMFCD00001644NSC-21120NSC211204-Ethyl-cyclohexanone4-Ethyl-1-cyclohexanone4-Ethylcyclohexanone, 97%6ERC99KWN8SCHEMBL87369SCHEMBL6591999SCHEMBL27507043

REACTIONS

参与反应

10 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 (9/10) · 10.1039/C8SC04228D

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07906677B2

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uspto-grants-1983_10 · 10.6084/m9.figshare.5104873.v1 · US04407927

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uspto-grants-1988_04 · 10.6084/m9.figshare.5104873.v1 · US04740512

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uspto-grants-1989_03 · 10.6084/m9.figshare.5104873.v1 · US04814450

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07238461B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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