(9Z,11E)-tetradeca-9,11-dien-1-yl acetate

• ChemBase编号: 178266
• 分子式: C16H28O2
• 平均质量: 252.39232
• 单一同位素质量: 252.20893014
• SMILES: C(=C\C=C\CC)\CCCCCCCCOC(=O)C
• Canonical SMILES: CC/C=C/C=C\CCCCCCCCOC(=O)C
• InChI: InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-
• InChIKey: RFEQLTBBKNKGGJ-DEQVHDEQSA-N

名称和登记号

名称

• IUPAC标准名: (9Z,11E)-tetradeca-9,11-dien-1-yl acetate
• IUPAC传统名: (9Z,11E)-tetradeca-9,11-dien-1-yl acetate
• 别名: Ferodin SL; Litlure A; Prodlure; cis-9,trans-11-Tetradecadien-1-ol Acetate; cis-9,trans-11-Tetradecadien-1-yl Acetate; cis-9,trans-11-Tetradecadienyl Acetate; (9Z,11E)-9,11-Tetradecadienol Acetate; (Z,E)-9,11-Tetradecadien-1-ol Acetate; 9Z,11E-Tetradecadienyl Acetate

登记号

• CAS号: 50767-79-8
• PubChem SID: 164234176
• PubChem CID: 6441057

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.968291
• LogD (pH = 7.4): 4.968291
• Log P: 4.968291
• 摩尔折射率: 79.5296 cm^3
• 极化性: 30.498846 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - T291410

The sex pheromone of the currant shoot borer Lampronia capitella.

参考文献

• Ochiai, M., et al.: Chem. Pharm. Bull., 31, 1641 (1983)
• Ando, T., et al.: Agric. Biol. Chem., 52, 1415 (1983)
• Kozlov, M., et al.: J. Chem. Ecol., 22, 431 (1983)