2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene

• ChemBase编号: 119356
• 分子式: C19H32
• 平均质量: 260.45738
• 单一同位素质量: 260.25040102
• SMILES: C1(=C(CCCC1(C)C)C)CCC(=C=CCC(C)C)C
• Canonical SMILES: CC(CC=C=C(CCC1=C(C)CCCC1(C)C)C)C
• InChI: InChI=1S/C19H32/c1-15(2)9-7-10-16(3)12-13-18-17(4)11-8-14-19(18,5)6/h7,15H,8-9,11-14H2,1-6H3
• InChIKey: XFSRTNQYXZYRGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene
• IUPAC传统名: 2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene
• 别名: 2-(3,7-dimethylocta-3,4-dien-1-yl)-1,3,3-trimethylcyclohex-1-ene

登记号

• PubChem SID: 162107538
• PubChem CID: 1742258

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.4520717
• LogD (pH = 7.4): 6.4520717
• Log P: 6.4520717
• 摩尔折射率: 88.1452 cm^3
• 极化性: 34.079517 Å^3
• 极化表面积: 0.0 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