2,2,4-trimethyl-4-[(2,4,4-trimethylpentan-2-yl)disulfanyl]pentane

• ChemBase编号: 109227
• 分子式: C16H34S2
• 平均质量: 290.57116
• 单一同位素质量: 290.21019309
• SMILES: CC(C)(C)CC(C)(C)SSC(C)(C)CC(C)(C)C
• Canonical SMILES: CC(CC(C)(C)C)(SSC(CC(C)(C)C)(C)C)C
• InChI: InChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
• InChIKey: ZIMCZOLRXKPXLN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,4-trimethyl-4-[(2,4,4-trimethylpentan-2-yl)disulfanyl]pentane
• IUPAC传统名: 2,2,4-trimethyl-4-[(2,4,4-trimethylpentan-2-yl)disulfanyl]pentane
• 别名: DI-tert-OCTYL DISULFIDE

登记号

• PubChem SID: 162106279
• PubChem CID: 121601

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.4115443
• LogD (pH = 7.4): 6.4115443
• Log P: 6.4115443
• 摩尔折射率: 90.889 cm^3
• 极化性: 36.42845 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05210279

MP Biomedicals Rare Chemical collection