8-[2-(2,2-dichloro-3,3-dimethylcyclopropyl)ethyl]-4,8-dimethyl-3,9-dioxatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene

• ChemBase编号: 185343
• 分子式: C21H28Cl2O2
• 平均质量: 383.35182
• 单一同位素质量: 382.1466355
• SMILES: C1(C(C1CCC1(C2C(c3c(O1)cccc3)OC(CC2)C)C)(C)C)(Cl)Cl
• Canonical SMILES: CC1CCC2C(O1)c1ccccc1OC2(C)CCC1C(C1(C)C)(Cl)Cl
• InChI: InChI=1S/C21H28Cl2O2/c1-13-9-10-15-18(24-13)14-7-5-6-8-16(14)25-20(15,4)12-11-17-19(2,3)21(17,22)23/h5-8,13,15,17-18H,9-12H2,1-4H3
• InChIKey: QDLLDCYHCZOLDA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-[2-(2,2-dichloro-3,3-dimethylcyclopropyl)ethyl]-4,8-dimethyl-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene
• IUPAC传统名: 8-[2-(2,2-dichloro-3,3-dimethylcyclopropyl)ethyl]-4,8-dimethyl-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene

登记号

• PubChem SID: 164241253
• PubChem CID: 3776662

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.956282
• LogD (pH = 7.4): 5.956282
• Log P: 5.956282
• 摩尔折射率: 102.9488 cm^3
• 极化性: 40.782196 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

产品相关信息

• 简要说明: Stereoisomers
• 分类: Derivatives & analogs of Natural Compounds