ethyl 2-[3-(2-ethoxy-2-oxoethyl)oxetan-3-yl]acetate

• ChemBase编号: 136360
• 分子式: C11H18O5
• 平均质量: 230.25762
• 单一同位素质量: 230.11542368
• SMILES: CCOC(=O)CC1(COC1)CC(=O)OCC
• Canonical SMILES: CCOC(=O)CC1(COC1)CC(=O)OCC
• InChI: InChI=1S/C11H18O5/c1-3-15-9(12)5-11(7-14-8-11)6-10(13)16-4-2/h3-8H2,1-2H3
• InChIKey: NTDTTXWHMNHYOA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-[3-(2-ethoxy-2-oxoethyl)oxetan-3-yl]acetate
• IUPAC传统名: ethyl 2-[3-(2-ethoxy-2-oxoethyl)oxetan-3-yl]acetate
• 别名: Diethyl 2,2′-(oxetane-3,3-diyl)diacetate

登记号

• MDL号: MFCD14586497
• PubChem SID: 162230630
• PubChem CID: 67469031

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.2387172
• LogD (pH = 7.4): 0.2387172
• Log P: 0.2387172
• 摩尔折射率: 56.2364 cm^3
• 极化性: 22.578062 Å^3
• 极化表面积: 61.83 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C11H18O5

详细说明

Sigma Aldrich - L500038

Other Notes
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