HCID30181

2,2,6-Trimethylcyclohexane-1,4-dione

C9H14O2154.21 g/molCAS 20547-99-3

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IDENTITY

结构与身份

标准 SMILES: CC1CC(=O)CC(C)(C)C1=O
InChIKey: HVHHZSFNAYSPSA-UHFFFAOYSA-N
分子式: C9H14O2
平均分子量: 154.21 g/mol
单同位素质量: 154.09937969

COMPUTED

结构计算性质

等待补全

XLogP: 0.9
极性表面积: 34.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 204

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 34 条

2,2,6-trimethylcyclohexane-1,4-dioneDTXSID70942726RefChem:440795DTXCID201371117990-180-520547-99-32,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONE1,4-Cyclohexanedione, 2,2,6-trimethyl-2,6,6-Trimethyl-1,4-cyclohexanedione2,2,6-trimethyl-cyclohexane-1,4-dionexi-2,2,6-Trimethyl-1,4-cyclohexanedione1125-20-8MFCD147082623,5,5-Trimethyl-1,4-cyclohexanedionedihydrooxophorone2,6,6-Trimethyl-1,4-cyclohexadioneorb3029151SCHEMBL1720186CHEBI:180432226-Trimethylcyclohexane-14-dione

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID92738

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

作为反应物

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

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HRID713615

uspto-grants-2015_11

作为反应物

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09185914B2

查看条件与参与物