3-(prop-2-en-1-yl)oxetan-3-ol

• ChemBase编号: 136396
• 分子式: C6H10O2
• 平均质量: 114.1424
• 单一同位素质量: 114.06807956
• SMILES: C=CCC1(COC1)O
• Canonical SMILES: C=CCC1(O)COC1
• InChI: InChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2,7H,1,3-5H2
• InChIKey: YSSORDAPEBFRKL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(prop-2-en-1-yl)oxetan-3-ol
• IUPAC传统名: 3-(prop-2-en-1-yl)oxetan-3-ol
• 别名: 3-Allyl-3-oxetanol

登记号

• MDL号: MFCD14586445
• PubChem SID: 162230666
• PubChem CID: 55280862

理论计算性质

• Acid pKa: 13.43232
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.26636928
• LogD (pH = 7.4): 0.2663689
• Log P: 0.26636928
• 摩尔折射率: 30.8133 cm^3
• 极化性: 12.130255 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C6H10O2

详细说明

Sigma Aldrich - L500461

Other Notes
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