2-(2-methylpropoxy)naphthalene

• ChemBase编号: 109954
• 分子式: C14H16O
• 平均质量: 200.27624
• 单一同位素质量: 200.12011513
• SMILES: CC(C)COc1ccc2ccccc2c1
• Canonical SMILES: CC(COc1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
• InChIKey: XOHIHZHSDMWWMS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-methylpropoxy)naphthalene
• IUPAC传统名: 2-(2-methylpropoxy)naphthalene
• 别名: 2-(2-methylpropoxy)naphthalene; 2-isobutoxynaphthalene; 2-Naphthyl isobutyl ether; beta-Naphthol isobutyl ether; beta-Naphthyl isobutyl ether; ETHER, ISOBUTYL(2-NAPHTHYL); Fragarol; Isobutyl 2-naphthyl ether; Isobutyl beta-naphthyl ether; Naphthalene, 2-(2-methylpropoxy)-; Naphthalene, 2-isobutoxy-; Nerolin fragarol; FRAGAROLE; 2-Isobutoxynaphthalene

登记号

• CAS号: 2173-57-1
• EC号: 218-529-2
• MDL号: MFCD00046467
• PubChem SID: 162096412
• PubChem CID: 16582

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.0493546
• LogD (pH = 7.4): 4.0493546
• Log P: 4.0493546
• 摩尔折射率: 62.7156 cm^3
• 极化性: 26.00697 Å^3
• 极化表面积: 9.23 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

• 纯度: 95+%

详细说明

MP Biomedicals - 05213165

MP Biomedicals Rare Chemical collection