dimethyl(2-methyl-2-{9-methyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}propyl)amine

• ChemBase编号: 181415
• 分子式: C16H29NO2
• 平均质量: 267.40696
• 单一同位素质量: 267.21982917
• SMILES: C(C1OC[C@]2(CO1)CC=C(CC2)C)(CN(C)C)(C)C
• Canonical SMILES: CN(CC(C1OC[C@]2(CO1)CCC(=CC2)C)(C)C)C
• InChI: InChI=1S/C16H29NO2/c1-13-6-8-16(9-7-13)11-18-14(19-12-16)15(2,3)10-17(4)5/h6,14H,7-12H2,1-5H3/t14?,16-
• InChIKey: VSLOIWINQDQAPA-WKHZBYLOSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl(2-methyl-2-{9-methyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}propyl)amine
• IUPAC传统名: dimethyl(2-methyl-2-{9-methyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl}propyl)amine

登记号

• PubChem SID: 164237325
• PubChem CID: 547337

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.23763476
• LogD (pH = 7.4): 1.2301493
• Log P: 3.0652611
• 摩尔折射率: 79.4925 cm^3
• 极化性: 31.414396 Å^3
• 极化表面积: 21.7 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

• 分类: Rare Derivatives of Natural Compounds