7,9,11-trimethyl-3-pentyl-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase编号: 182181
• 分子式: C17H30O2
• 平均质量: 266.4189
• 单一同位素质量: 266.2245802
• SMILES: C12(C(C=C(CC1C)C)C)COC(OC2)CCCCC
• Canonical SMILES: CCCCCC1OCC2(CO1)C(C)CC(=CC2C)C
• InChI: InChI=1S/C17H30O2/c1-5-6-7-8-16-18-11-17(12-19-16)14(3)9-13(2)10-15(17)4/h9,14-16H,5-8,10-12H2,1-4H3
• InChIKey: FUISBEMCOIUUEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7,9,11-trimethyl-3-pentyl-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC传统名: 7,9,11-trimethyl-3-pentyl-2,4-dioxaspiro[5.5]undec-8-ene

登记号

• PubChem SID: 164238091
• PubChem CID: 3839279

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.5733547
• LogD (pH = 7.4): 4.5733547
• Log P: 4.5733547
• 摩尔折射率: 80.1319 cm^3
• 极化性: 31.73402 Å^3
• 极化表面积: 18.46 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

• 分类: Derivatives & analogs of Natural Compounds