N,N-bis(2,2,5-trimethylhex-4-en-1-yl)formamide

• ChemBase编号: 188829
• 分子式: C19H35NO
• 平均质量: 293.4873
• 单一同位素质量: 293.27186475
• SMILES: N(C=O)(CC(CC=C(C)C)(C)C)CC(CC=C(C)C)(C)C
• Canonical SMILES: O=CN(CC(CC=C(C)C)(C)C)CC(CC=C(C)C)(C)C
• InChI: InChI=1S/C19H35NO/c1-16(2)9-11-18(5,6)13-20(15-21)14-19(7,8)12-10-17(3)4/h9-10,15H,11-14H2,1-8H3
• InChIKey: GBYHFQJWSDARAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-bis(2,2,5-trimethylhex-4-en-1-yl)formamide
• IUPAC传统名: N,N-bis(2,2,5-trimethylhex-4-en-1-yl)formamide

登记号

• PubChem SID: 164244739
• PubChem CID: 2872358

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.0432262
• LogD (pH = 7.4): 5.043264
• Log P: 5.0432644
• 摩尔折射率: 94.4566 cm^3
• 极化性: 36.495052 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds