3-(octadeca-2,5,8,11,14,16-hexaen-1-yl)oxolane-2,5-dione

• ChemBase编号: 112335
• 分子式: C22H28O3
• 平均质量: 340.45592
• 单一同位素质量: 340.20384476
• SMILES: C/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
• Canonical SMILES: C/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
• InChI: InChI=1S/C22H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h2-5,7-8,10-11,13-14,16-17,20H,6,9,12,15,18-19H2,1H3
• InChIKey: WEDPWRGEBAUTTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(octadeca-2,5,8,11,14,16-hexaen-1-yl)oxolane-2,5-dione
• IUPAC传统名: 3-(octadeca-2,5,8,11,14,16-hexaen-1-yl)oxolane-2,5-dione
• 别名: HEXAPROPENYL SUCCINIC ANHYDRIDE

登记号

• PubChem SID: 162106658
• PubChem CID: 71300210

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.6648126
• LogD (pH = 7.4): 5.6648126
• Log P: 5.6648126
• 摩尔折射率: 109.8227 cm^3
• 极化性: 39.93061 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05223536

MP Biomedicals Rare Chemical collection