3-ethyl-4-(2H3)methyl-2,5-dihydrofuran-2,5-dione

• ChemBase编号: 168627
• 分子式: C7H8O3
• 平均质量: 140.13662
• 单一同位素质量: 140.04734412
• SMILES: C1(=C(C(=O)OC1=O)C)CC
• Canonical SMILES: CCC1=C(C)C(=O)OC1=O
• InChI: InChI=1S/C7H8O3/c1-3-5-4(2)6(8)10-7(5)9/h3H2,1-2H3
• InChIKey: ZVUUAOZFEUKPLC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-ethyl-4-(^2H₃)methyl-2,5-dihydrofuran-2,5-dione
• IUPAC传统名: 3-ethyl-4-(^2H₃)methylfuran-2,5-dione
• 别名: 3-Ethyl-4-(methyl-d3)-2,5-furandione; Ethylmethyl-d3 Maleic Anhydride; Ethyl(methyl-d3)maleic Anhydride; 2-Ethyl-3-methylmaleic Anhydride-d3

登记号

• PubChem SID: 162262759
• PubChem CID: 71316617

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.795594
• LogD (pH = 7.4): 1.795594
• Log P: 1.795594
• 摩尔折射率: 34.7168 cm^3
• 极化性: 13.5419235 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - E923522

Labelled 2-Ethyl-3-methylmaleic Anhydride (E923520). One of the bioactive ingredients present in essential oil of the leaves of Maytenus obtusifolia (Celastraceae), showed antimicrobial activity against 13 strains of bacteria, and fungus and yeast. The oi

参考文献

• De Medeiros, V., et al.: J. Essent. Oil Res., 22, 466 (2010)