2-hydroxy-5,5-dimethyl-2,5-dihydro-1,2$l^{5}-oxaphosphol-2-one

• ChemBase编号: 83393
• 分子式: C5H9O3P
• 平均质量: 148.096921
• 单一同位素质量: 148.02893078
• SMILES: P1(=O)(OC(C)(C)C=C1)O
• Canonical SMILES: CC1(C)C=CP(=O)(O1)O
• InChI: InChI=1S/C5H9O3P/c1-5(2)3-4-9(6,7)8-5/h3-4H,1-2H3,(H,6,7)
• InChIKey: BPJODSLPXVSHQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxy-5,5-dimethyl-2,5-dihydro-1,2$l^{5}-oxaphosphol-2-one
• IUPAC传统名: 2-hydroxy-5,5-dimethyl-1,2$l^{5}-oxaphosphol-2-one
• 别名: 2-hydroxy-5,5-dimethyl-2,5-dihydro-1,2lambda~5~-oxaphosphol-2-one

登记号

• MDL号: MFCD00831197
• PubChem SID: 162070511
• PubChem CID: 2780218

理论计算性质

• Acid pKa: 3.4692886
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.7569208
• LogD (pH = 7.4): -2.2027776
• Log P: 0.09291423
• 摩尔折射率: 34.0612 cm^3
• 极化性: 13.491713 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true