1-{2-methyl-2-[4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-1,3-oxazolidin-3-yl}ethan-1-one

• ChemBase编号: 182032
• 分子式: C18H29NO2
• 平均质量: 291.42836
• 单一同位素质量: 291.21982917
• SMILES: N1(C(OCC1)(C1CC=C(CC1)CCC=C(C)C)C)C(=O)C
• Canonical SMILES: CC(=CCCC1=CCC(CC1)C1(C)OCCN1C(=O)C)C
• InChI: InChI=1S/C18H29NO2/c1-14(2)6-5-7-16-8-10-17(11-9-16)18(4)19(15(3)20)12-13-21-18/h6,8,17H,5,7,9-13H2,1-4H3
• InChIKey: JPZZOYNSEBWLKQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{2-methyl-2-[4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-1,3-oxazolidin-3-yl}ethan-1-one
• IUPAC传统名: 1-{2-methyl-2-[4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-1,3-oxazolidin-3-yl}ethanone

登记号

• PubChem SID: 164237942
• PubChem CID: 42648515

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.3135905
• LogD (pH = 7.4): 3.3135905
• Log P: 3.3135905
• 摩尔折射率: 88.0946 cm^3
• 极化性: 33.84496 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 4
• 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