5,5-dimethyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxane

• ChemBase编号: 182154
• 分子式: C19H32O2
• 平均质量: 292.45618
• 单一同位素质量: 292.24023026
• SMILES: C(=CC(C1OCC(CO1)(C)C)(C)C)=C(CCC=C(C)C)C
• Canonical SMILES: CC(=CCCC(=C=CC(C1OCC(CO1)(C)C)(C)C)C)C
• InChI: InChI=1S/C19H32O2/c1-15(2)9-8-10-16(3)11-12-19(6,7)17-20-13-18(4,5)14-21-17/h9,12,17H,8,10,13-14H2,1-7H3
• InChIKey: USEUSIFBJPHRNL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,5-dimethyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxane
• IUPAC传统名: 5,5-dimethyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxane

登记号

• PubChem SID: 164238064
• PubChem CID: 2251892

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.553079
• LogD (pH = 7.4): 5.553079
• Log P: 5.553079
• 摩尔折射率: 91.2765 cm^3
• 极化性: 35.371525 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds