7,11,15-trimethyl-3-methylidenehexadec-1-ene

• ChemBase编号: 175074
• 分子式: C20H38
• 平均质量: 278.51572
• 单一同位素质量: 278.29735122
• SMILES: C(CCCC(CCCC(CCCC(=C)C=C)C)C)(C)C
• Canonical SMILES: C=CC(=C)CCCC(CCCC(CCCC(C)C)C)C
• InChI: InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3
• InChIKey: NIDGCIPAMWNKOA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7,11,15-trimethyl-3-methylidenehexadec-1-ene
• IUPAC传统名: 7,11,15-trimethyl-3-methylidenehexadec-1-ene
• 别名: 7,11,15-Trimethyl-3-methylene-1-hexadecene; 2-(4,8,12-Trimethyltridecyl)-1,3-butadiene; 2-(4,8,12-Trimethyltridecyl)buta-1,3-diene; 3-Methylene-7,11,15-trimethylhexadec-1-ene; Neophytadiene

登记号

• CAS号: 504-96-1
• PubChem SID: 164230984
• PubChem CID: 10446

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.073267
• LogD (pH = 7.4): 8.073267
• Log P: 8.073267
• 摩尔折射率: 93.4342 cm^3
• 极化性: 37.2296 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ether; Hexanes
• 外观: Colorless Liquid

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - N390000

Enzyme inhibitor.This product contains up 15% hexanes and up to 5% of the analogous dimer by NMR.

参考文献

• Rowell, C.A., et al.: J. Biol. Chem., 272, 14093 (1997)
• Sebti, S.M., et al.: Pharmacol. Ther., 74, 103 (1997)
• Sun, J., et al.: Cancer Res., 59, 1919 (1997)