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

• ChemBase编号: 187420
• 分子式: C15H26O6
• 平均质量: 302.36334
• 单一同位素质量: 302.17293855
• SMILES: [C@H]12[C@H](O[C@@H]([C@@H]1OCCC)C1OC(OC1)(C)C)OC(O2)(C)C
• Canonical SMILES: CCCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C1COC(O1)(C)C
• InChI: InChI=1S/C15H26O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h9-13H,6-8H2,1-5H3/t9?,10-,11+,12-,13-/m1/s1
• InChIKey: WHYCYJUAIQNWPT-ZLOUSURVSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-propoxy-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)-2,2-dimethyl-6-propoxy-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

登记号

• PubChem SID: 164243330
• PubChem CID: 16396818

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.9947668
• LogD (pH = 7.4): 1.9947668
• Log P: 1.9947668
• 摩尔折射率: 74.3612 cm^3
• 极化性: 30.416552 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 4
• 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