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

• ChemBase编号: 185460
• 分子式: C19H24Cl2O2
• 平均质量: 355.29866
• 单一同位素质量: 354.11533537
• SMILES: C1(C(C1C)C1(OC2C(C(Oc3c2cccc3)(C)C)CC1)C)(Cl)Cl
• Canonical SMILES: CC1C(C1(Cl)Cl)C1(C)CCC2C(O1)c1ccccc1OC2(C)C
• InChI: InChI=1S/C19H24Cl2O2/c1-11-16(19(11,20)21)18(4)10-9-13-15(23-18)12-7-5-6-8-14(12)22-17(13,2)3/h5-8,11,13,15-16H,9-10H2,1-4H3
• InChIKey: DYGSLTDGTPXLQY-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164241370
• PubChem CID: 4438250

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.1164494
• LogD (pH = 7.4): 5.1164494
• Log P: 5.1164494
• 摩尔折射率: 93.6813 cm^3
• 极化性: 37.10737 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

产品相关信息

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