4-[(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase编号: 186988
• 分子式: C14H24O6
• 平均质量: 288.33676
• 单一同位素质量: 288.15728849
• SMILES: [C@H]12[C@H](O[C@@H]([C@@H]1OCC)C1OC(OC1)(C)C)OC(O2)(C)C
• Canonical SMILES: CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C1COC(O1)(C)C
• InChI: InChI=1S/C14H24O6/c1-6-15-10-9(8-7-16-13(2,3)18-8)17-12-11(10)19-14(4,5)20-12/h8-12H,6-7H2,1-5H3/t8?,9-,10+,11-,12-/m1/s1
• InChIKey: VZBDKHKADBOBDL-UPUXHGCUSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC传统名: 4-[(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

登记号

• PubChem SID: 164242898
• PubChem CID: 16396708

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.4722445
• LogD (pH = 7.4): 1.4722445
• Log P: 1.4722445
• 摩尔折射率: 69.8372 cm^3
• 极化性: 28.5904 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds