{[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl}trimethylazanium iodide

• ChemBase编号: 200540
• 分子式: C13H26IN
• 平均质量: 323.25671
• 单一同位素质量: 323.11099784
• SMILES: C1(C(C1C[N+](C)(C)C)(C)C)C=C(C)C.[I-]
• Canonical SMILES: CC(=CC1C(C1(C)C)C[N+](C)(C)C)C.[I-]
• InChI: InChI=1S/C13H26N.HI/c1-10(2)8-11-12(13(11,3)4)9-14(5,6)7;/h8,11-12H,9H2,1-7H3;1H/q+1;/p-1
• InChIKey: LHGJZFCKMRUXRQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: {[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl}trimethylazanium iodide
• IUPAC传统名: {[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl}trimethylazanium iodide

登记号

• PubChem SID: 164256450
• PubChem CID: 52993885

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.5469276
• LogD (pH = 7.4): -1.5469276
• Log P: -1.5469276
• 摩尔折射率: 76.0166 cm^3
• 极化性: 25.218527 Å^3
• 极化表面积: 0.0 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

• 成盐信息: I-
• 分类: Derivatives & analogs of Natural Compounds