2,2,6,6-tetramethyl-5-({[(2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl)oxy]magnesio}oxy)hept-4-en-3-one dihydrate

• ChemBase编号: 142871
• 分子式: C22H42MgO6
• 平均质量: 426.87028
• 单一同位素质量: 426.28318076
• SMILES: CC(/C(=C\C(=O)C(C)(C)C)/O[Mg]O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C)(C)C.O.O
• Canonical SMILES: O=C(C(C)(C)C)/C=C(\C(C)(C)C)/O[Mg]O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.O.O
• InChI: InChI=1S/2C11H20O2.Mg.2H2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h2*7,12H,1-6H3;;2*1H2/q;;+2;;/p-2
• InChIKey: WTZQUDYOTSWADB-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: 2,2,6,6-tetramethyl-5-({[(2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl)oxy]magnesio}oxy)hept-4-en-3-one dihydrate
• IUPAC传统名: 2,2,6,6-tetramethyl-5-({[(2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl)oxy]magnesio}oxy)hept-4-en-3-one dihydrate
• 别名: 双(2,2,6,6-四甲基-3,5-庚二酸)镁(II) 二水合物; Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)magnesium(II) dihydrate

登记号

• CAS号: 625832-70-4
• MDL号: MFCD00167208
• PubChem SID: 162237097
• PubChem CID: 71310807

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.3698
• LogD (pH = 7.4): 6.3698
• Log P: 6.3698
• 摩尔折射率: 109.042 cm^3
• 极化性: 44.368164 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 145-150 °C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C22H42MgO6

详细说明

Sigma Aldrich - 710571

包装
1 g in glass bottle
Application
Reactant for precursor for deposition of magnesium on oxide films1