6-oxo(1,1,1,2,3,3-2H6)undec-10-en-2-yl 2-ethenyl-4,6-dimethoxybenzoate

• ChemBase编号: 168293
• 分子式: C22H30O5
• 平均质量: 374.4706
• 单一同位素质量: 374.20932406
• SMILES: c1c(cc(c(c1OC)C(=O)OC(CCCC(=O)CCCC=C)C)C=C)OC
• Canonical SMILES: C=CCCCC(=O)CCCC(OC(=O)c1c(OC)cc(cc1C=C)OC)C
• InChI: InChI=1S/C22H30O5/c1-6-8-9-12-18(23)13-10-11-16(3)27-22(24)21-17(7-2)14-19(25-4)15-20(21)26-5/h6-7,14-16H,1-2,8-13H2,3-5H3
• InChIKey: QWDNEGNCWJHTQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-oxo(1,1,1,2,3,3-^2H₆)undec-10-en-2-yl 2-ethenyl-4,6-dimethoxybenzoate
• IUPAC传统名: 6-oxo(1,1,1,2,3,3-^2H₆)undec-10-en-2-yl 2-ethenyl-4,6-dimethoxybenzoate
• 别名: 2-Ethenyl-4,6-dimethoxy-benzoic Acid 1-Methyl-5-oxo-9-decen-1-yl Ester-d6; rac 2-Ethenyl-4,6-dimethoxy-benzoic Acid 1-Methyl-5-oxo-9-decen-1-yl Ester-d6

登记号

• PubChem SID: 162262425
• PubChem CID: 71316500

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.3227625
• LogD (pH = 7.4): 5.3227625
• Log P: 5.3227625
• 摩尔折射率: 107.2799 cm^3
• 极化性: 41.54679 Å^3
• 极化表面积: 61.83 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate
• 外观: Yellow Oil

详细说明

Toronto Research Chemicals - E890407

Intermediate in the production of Labelled Zearalenone