[2,5-dioxo-3-(prop-2-yn-1-yl)imidazolidin-1-yl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase编号: 798364
• 分子式: C17H22N2O4
• 平均质量: 318.36758
• 单一同位素质量: 318.15795719
• SMILES: [C@@H]1(C([C@@H]1C=C(C)C)(C)C)C(=O)OCN1C(=O)N(CC1=O)CC#C
• Canonical SMILES: C#CCN1CC(=O)N(C1=O)COC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C
• InChI: InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3/t12-,14+/m1/s1
• InChIKey: VPRAQYXPZIFIOH-OCCSQVGLSA-N

名称和登记号

名称

• IUPAC标准名: [2,5-dioxo-3-(prop-2-yn-1-yl)imidazolidin-1-yl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC传统名: (1R)-trans-imiprothrin
• 别名: 2,5-dioxo-3-prop-2-ynylimidazolidin-1-ylmethyl (1r,3r)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

登记号

• CAS号: 72963-72-5

理论计算性质

• Acid pKa: 12.945011
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5107975
• LogD (pH = 7.4): 1.5107963
• Log P: 1.5107975
• 摩尔折射率: 84.2451 cm^3
• 极化性: 32.476967 Å^3
• 极化表面积: 66.92 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%