3-ethenyloxetan-3-ol

• ChemBase编号: 136397
• 分子式: C5H8O2
• 平均质量: 100.11582
• 单一同位素质量: 100.0524295
• SMILES: C=CC1(COC1)O
• Canonical SMILES: C=CC1(O)COC1
• InChI: InChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2
• InChIKey: IRTNICKAXISCBY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-ethenyloxetan-3-ol
• IUPAC传统名: 3-ethenyloxetan-3-ol
• 别名: 3-Vinyl-3-oxetanol

登记号

• MDL号: MFCD14586454
• PubChem SID: 162230667
• PubChem CID: 53484283

理论计算性质

• Acid pKa: 13.140855
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.022291923
• LogD (pH = 7.4): -0.022292702
• Log P: -0.022291914
• 摩尔折射率: 26.0583 cm^3
• 极化性: 10.2966 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C5H8O2

详细说明

Sigma Aldrich - L500518

Other Notes
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