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

• ChemBase编号: 82013
• 分子式: C11H22O6P2
• 平均质量: 312.236302
• 单一同位素质量: 312.08916168
• SMILES: P1(=O)(CP2(=O)OCC(CO2)(C)C)OCC(CO1)(C)C
• Canonical SMILES: CC1(C)COP(=O)(OC1)CP1(=O)OCC(CO1)(C)C
• InChI: InChI=1S/C11H22O6P2/c1-10(2)5-14-18(12,15-6-10)9-19(13)16-7-11(3,4)8-17-19/h5-9H2,1-4H3
• InChIKey: SBBDXNPCMKYRSF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD00830415
• PubChem SID: 162069132
• PubChem CID: 2778008

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.66674
• LogD (pH = 7.4): 1.66674
• Log P: 1.66674
• 摩尔折射率: 69.1191 cm^3
• 极化性: 29.071102 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