6-{8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-ylmethyl}-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene

• ChemBase编号: 181275
• 分子式: C25H32O2
• 平均质量: 364.52038
• 单一同位素质量: 364.24023026
• SMILES: c12c(c3c(o1)CCCC3)CCCC2CC1c2c(c3c(o2)CCCC3)CCC1
• Canonical SMILES: C1CCc2c(C1)c1CCCC(c1o2)CC1CCCc2c1oc1c2CCCC1
• InChI: InChI=1S/C25H32O2/c1-3-13-22-18(9-1)20-11-5-7-16(24(20)26-22)15-17-8-6-12-21-19-10-2-4-14-23(19)27-25(17)21/h16-17H,1-15H2
• InChIKey: WORTVCJWMABZCN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-dien-6-ylmethyl}-8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-diene
• IUPAC传统名: 6-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-dien-6-ylmethyl}-8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7)-diene

登记号

• PubChem SID: 164237185
• PubChem CID: 3758793

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.9140253
• LogD (pH = 7.4): 6.9140253
• Log P: 6.9140253
• 摩尔折射率: 109.7376 cm^3
• 极化性: 41.417377 Å^3
• 极化表面积: 26.28 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds