(14Z)-12,12-dimethyl-14-(morpholin-4-ylmethylidene)-3,11-dioxatricyclo[8.4.0.02,7]tetradeca-1,5,7,9-tetraene-4,13-dione

• ChemBase编号: 185519
• 分子式: C19H19NO5
• 平均质量: 341.35786
• 单一同位素质量: 341.12632271
• SMILES: C\1(=C\N2CCOCC2)/c2c3oc(=O)ccc3ccc2OC(C1=O)(C)C
• Canonical SMILES: O=c1ccc2c(o1)c1c(cc2)OC(C(=O)/C/1=C\N1CCOCC1)(C)C
• InChI: InChI=1S/C19H19NO5/c1-19(2)18(22)13(11-20-7-9-23-10-8-20)16-14(25-19)5-3-12-4-6-15(21)24-17(12)16/h3-6,11H,7-10H2,1-2H3/b13-11-
• InChIKey: QFSPFAILXQCPAO-QBFSEMIESA-N

名称和登记号

名称

• IUPAC标准名: (14Z)-12,12-dimethyl-14-(morpholin-4-ylmethylidene)-3,11-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1,5,7,9-tetraene-4,13-dione
• IUPAC传统名: (14Z)-12,12-dimethyl-14-(morpholin-4-ylmethylidene)-3,11-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1,5,7,9-tetraene-4,13-dione

登记号

• PubChem SID: 164241429
• PubChem CID: 1795193

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.253631
• LogD (pH = 7.4): 2.2554731
• Log P: 2.2554967
• 摩尔折射率: 92.6755 cm^3
• 极化性: 35.088238 Å^3
• 极化表面积: 65.07 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds