2-(4-ethylphenoxymethyl)oxirane

• ChemBase编号: 168063
• 分子式: C11H14O2
• 平均质量: 178.22766
• 单一同位素质量: 178.09937969
• SMILES: c1c(ccc(c1)OCC1CO1)CC
• Canonical SMILES: CCc1ccc(cc1)OCC1OC1
• InChI: InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h3-6,11H,2,7-8H2,1H3
• InChIKey: AQKZSTFCPAOFIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-ethylphenoxymethyl)oxirane
• IUPAC传统名: 2-(4-ethylphenoxymethyl)oxirane
• 别名: [(4-Ethylphenoxy)methyl]oxirane; 2,3-Epoxypropyl 4-Ethylphenyl Ether; 1,2-Epoxy-3-(p-ethylphenoxy)propane; p-Ethylphenyl Glycidyl Ether; 4-Ethylphenyl Glycidyl Ether; 2-[(4-ethylphenoxy)methyl]oxirane

登记号

• CAS号: 2930-02-1
• MDL号: MFCD00022342
• PubChem SID: 162262195
• PubChem CID: 572429

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.6148312
• LogD (pH = 7.4): 2.6148312
• Log P: 2.6148312
• 摩尔折射率: 50.9081 cm^3
• 极化性: 20.095587 Å^3
• 极化表面积: 21.76 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.656

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - E679650

An epoxide with potential use as a pesticide due to its enzyme epoxide hydrase inhibitory effects.

参考文献

• Craven, A.C. et al.: Pest. Biochem. Physiol., 6, 132 (1976)
• Oesch, F. et al.: Biochem., 10, 4858 (1976)