1-[2-(2,6-dimethylhept-5-en-1-yl)-1,3-oxazolidin-3-yl]propan-1-one

• ChemBase编号: 185090
• 分子式: C15H27NO2
• 平均质量: 253.38038
• 单一同位素质量: 253.20417911
• SMILES: N1(C(OCC1)CC(CCC=C(C)C)C)C(=O)CC
• Canonical SMILES: CCC(=O)N1CCOC1CC(CCC=C(C)C)C
• InChI: InChI=1S/C15H27NO2/c1-5-14(17)16-9-10-18-15(16)11-13(4)8-6-7-12(2)3/h7,13,15H,5-6,8-11H2,1-4H3
• InChIKey: ATXMZGBWVXCOHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(2,6-dimethylhept-5-en-1-yl)-1,3-oxazolidin-3-yl]propan-1-one
• IUPAC传统名: 1-[2-(2,6-dimethylhept-5-en-1-yl)-1,3-oxazolidin-3-yl]propan-1-one

登记号

• PubChem SID: 164241000
• PubChem CID: 3274450

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.2669082
• LogD (pH = 7.4): 3.2669082
• Log P: 3.2669082
• 摩尔折射率: 75.0335 cm^3
• 极化性: 29.286407 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: Isomers
• 分类: Rare Derivatives of Natural Compounds