HCID17000

2,2,6-Trimethylcyclohexanone

2,2,6-trimethylcyclohexan-1-one

C9H16O140.22 g/molCAS 2408-37-9

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IDENTITY

结构与身份

标准SMILES: CC1CCCC(C)(C)C1=O
InChIKey: ZPVOLGVTNLDBFI-UHFFFAOYSA-N
分子式: C9H16O
平均分子量: 140.22 g/mol
单同位素质量: 140.12011513

COMPUTED

结构计算性质

等待补全

XLogP: 2.4
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 147

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 50 条

2,2,6-TRIMETHYLCYCLOHEXANONE2408-37-92,2,6-Trimethylcyclohexan-1-oneCyclohexanone, 2,2,6-trimethyl-2,6,6-Trimethylcyclohexanone1,1,3-Trimethyl-2-cyclohexanoneFEMA No. 3473CQ3ZL1YW7R2,6,6-Trimethylcyclohexan-1-oneEINECS 219-309-9NSC 401659NSC-401659DTXSID208629252,2,6-TRIMETHYLCYCLOHEXANONE [FHFI]RefChem:4407962,6,6Trimethylcyclohexanone1,1,3Trimethyl2cyclohexanone2,2,6Trimethylcyclohexan1one2,6,6Trimethylcyclohexan1oneCyclohexanone, 2,2,6trimethyl

REACTIONS

参与反应

13 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04148829

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

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588849

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588849

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

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uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04088681

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uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04088681

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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