2-{spiro[2.2]pentan-1-yl}-5-[1-(5-{spiro[2.2]pentan-1-yl}furan-2-yl)ethyl]furan

• ChemBase编号: 181918
• 分子式: C20H22O2
• 平均质量: 294.38748
• 单一同位素质量: 294.16197994
• SMILES: C12(C(c3oc(C(c4oc(C5C6(C5)CC6)cc4)C)cc3)C1)CC2
• Canonical SMILES: CC(c1ccc(o1)C1CC21CC2)c1ccc(o1)C1CC21CC2
• InChI: InChI=1S/C20H22O2/c1-12(15-2-4-17(21-15)13-10-19(13)6-7-19)16-3-5-18(22-16)14-11-20(14)8-9-20/h2-5,12-14H,6-11H2,1H3
• InChIKey: XWFQMXAWNXJJKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{spiro[2.2]pentan-1-yl}-5-[1-(5-{spiro[2.2]pentan-1-yl}furan-2-yl)ethyl]furan
• IUPAC传统名: 2-{spiro[2.2]pentan-1-yl}-5-[1-(5-{spiro[2.2]pentan-1-yl}furan-2-yl)ethyl]furan

登记号

• PubChem SID: 164237828
• PubChem CID: 24133803

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.7735896
• LogD (pH = 7.4): 3.7735896
• Log P: 3.7735896
• 摩尔折射率: 84.387 cm^3
• 极化性: 32.596687 Å^3
• 极化表面积: 26.28 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

• 简要说明: Stereoisomers
• 分类: Rare Derivatives of Natural Compounds