2-[1-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)ethenyl]-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one

• ChemBase编号: 82020
• 分子式: C12H22O6P2
• 平均质量: 324.247002
• 单一同位素质量: 324.08916168
• SMILES: P1(=O)(C(=C)P2(=O)OCC(CO2)(C)C)OCC(CO1)(C)C
• Canonical SMILES: C=C(P1(=O)OCC(CO1)(C)C)P1(=O)OCC(CO1)(C)C
• InChI: InChI=1S/C12H22O6P2/c1-10(19(13)15-6-11(2,3)7-16-19)20(14)17-8-12(4,5)9-18-20/h1,6-9H2,2-5H3
• InChIKey: LGIZYDYQFZYDKD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[1-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)ethenyl]-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one
• IUPAC传统名: 2-[1-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)ethenyl]-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphinan-2-one
• 别名: 2-[1-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)vinyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one

登记号

• MDL号: MFCD00830459
• PubChem SID: 162069139
• PubChem CID: 2778015

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.583647
• LogD (pH = 7.4): 2.583647
• Log P: 2.583647
• 摩尔折射率: 72.4339 cm^3
• 极化性: 30.637201 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true