6,7-dimethoxy-2,2-dimethyl-2H-chromene

• ChemBase编号: 176875
• 分子式: C13H16O3
• 平均质量: 220.26434
• 单一同位素质量: 220.10994437
• SMILES: c1(c(cc2c(c1)OC(C=C2)(C)C)OC)OC
• Canonical SMILES: COc1cc2OC(C)(C)C=Cc2cc1OC
• InChI: InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
• InChIKey: PTIDGSWTMLSGAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,7-dimethoxy-2,2-dimethyl-2H-chromene
• IUPAC传统名: precocene II
• 别名: 6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran; 6,7-Dimethoxy-2,2-dimethylchromene; Ageratochromene; Precocene 2

登记号

• CAS号: 644-06-4
• PubChem SID: 164232785
• PubChem CID: 12565

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5585268
• LogD (pH = 7.4): 2.5585268
• Log P: 2.5585268
• 摩尔折射率: 63.3778 cm^3
• 极化性: 24.34794 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Pale Green Solid
• 熔点: 42-44°C

安全信息

• 保存条件: -20°C Freezer

产品相关信息

• 分类: Rare Genuine Natural Compounds

详细说明

Toronto Research Chemicals - P703350

Anti-juvenile hormones found in plants that induce reversible precocious metamorphosis and sterilization in insects by suppressing the function of the corpora allata gland.

参考文献

• Soderlund, D.M., et al.: J. Agric. Food Chem., 724 (1780)
• Bowers, W.S., Am. Zool., 21, 737 (1780)