5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione

• ChemBase编号: 240306
• 分子式: C10H16N2O2
• 平均质量: 196.24624
• 单一同位素质量: 196.12117776
• SMILES: N1C(=O)NC(C1=O)(CCC=C(C)C)C
• Canonical SMILES: CC(=CCCC1(C)NC(=O)NC1=O)C
• InChI: InChI=1S/C10H16N2O2/c1-7(2)5-4-6-10(3)8(13)11-9(14)12-10/h5H,4,6H2,1-3H3,(H2,11,12,13,14)
• InChIKey: DWHPGBUSXZURCE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione
• IUPAC传统名: 5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione
• 别名: 5-methyl-5-(4-methylpent-3-en-1-yl)imidazolidine-2,4-dione

登记号

• MDL号: MFCD00548547
• PubChem SID: 164296216
• PubChem CID: 20350415

理论计算性质

• Acid pKa: 10.197968
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.288969
• LogD (pH = 7.4): 1.2882946
• Log P: 1.2889776
• 摩尔折射率: 53.9789 cm^3
• 极化性: 20.613222 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.378

产品相关信息

• 纯度: 95%