2-ethenyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine

• ChemBase编号: 119378
• 分子式: C9H15NO
• 平均质量: 153.2215
• 单一同位素质量: 153.11536411
• SMILES: N1=C(OC(CC1(C)C)C)C=C
• Canonical SMILES: C=CC1=NC(CC(O1)C)(C)C
• InChI: InChI=1S/C9H15NO/c1-5-8-10-9(3,4)6-7(2)11-8/h5,7H,1,6H2,2-4H3
• InChIKey: JMQHTHXKRALUHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethenyl-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
• IUPAC传统名: 2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
• 别名: 4,4,6-trimethyl-2-vinyl-5,6-dihydro-4H-1,3-oxazine

登记号

• PubChem SID: 162107554
• PubChem CID: 90992

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.952899
• LogD (pH = 7.4): 2.1150925
• Log P: 2.117607
• 摩尔折射率: 45.6554 cm^3
• 极化性: 17.756004 Å^3
• 极化表面积: 21.59 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true