triethoxy(2H3)ethane

• ChemBase编号: 179001
• 分子式: C8H18O3
• 平均质量: 162.22672
• 单一同位素质量: 162.12559444
• SMILES: C(C)(OCC)(OCC)OCC
• Canonical SMILES: CCOC(OCC)(OCC)C
• InChI: InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
• InChIKey: NDQXKKFRNOPRDW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triethoxy(^2H₃)ethane
• IUPAC传统名: triethoxy(^2H₃)ethane
• 别名: 1,1,1-Triethoxyethane-d3; Orthoacetic Acid-d3 Triethyl Ester; Ethyl Orthoacetate-d3; NSC 5596-d3; Triethyl Orthoacetate-d3

登记号

• CAS号: 97419-13-1
• PubChem SID: 164234911
• PubChem CID: 71752730

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.0645168
• LogD (pH = 7.4): 2.0645168
• Log P: 2.0645168
• 摩尔折射率: 44.4342 cm^3
• 极化性: 17.554483 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - T776852

The four-center reactions of alkanol-alkoxide negative ions with alkyl ethers and ortho-acetates. An ion cyclotron resonance study.