4,8-dimethyl-8-(4-methylpent-3-en-1-yl)-3,9-dioxatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene

• ChemBase编号: 119321
• 分子式: C20H28O2
• 平均质量: 300.43512
• 单一同位素质量: 300.20893014
• SMILES: C12C(C(Oc3c1cccc3)(CCC=C(C)C)C)CCC(O2)C
• Canonical SMILES: CC1CCC2C(O1)c1ccccc1OC2(C)CCC=C(C)C
• InChI: InChI=1S/C20H28O2/c1-14(2)8-7-13-20(4)17-12-11-15(3)21-19(17)16-9-5-6-10-18(16)22-20/h5-6,8-10,15,17,19H,7,11-13H2,1-4H3
• InChIKey: RIDUKCBURFEWNE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,8-dimethyl-8-(4-methylpent-3-en-1-yl)-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene
• IUPAC传统名: 4,8-dimethyl-8-(4-methylpent-3-en-1-yl)-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene
• 别名: 2,5-dimethyl-5-(4-methylpent-3-en-1-yl)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]chromene

登记号

• PubChem SID: 162107498
• PubChem CID: 534932

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.941307
• LogD (pH = 7.4): 4.941307
• Log P: 4.941307
• 摩尔折射率: 91.1421 cm^3
• 极化性: 35.797516 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: true

分子性质

产品相关信息

• 简要说明: Diastereomers (1:1)
• 分类: Derivatives & analogs of Natural Compounds