11-methyl-15-(naphthalen-2-yl)-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

• ChemBase编号: 188256
• 分子式: C26H16O3
• 平均质量: 376.40344
• 单一同位素质量: 376.10994437
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)occ1c1cc2c(cc1)cccc2
• Canonical SMILES: Cc1c2occ(c2cc2c1oc(=O)c1c2cccc1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C26H16O3/c1-15-24-22(13-21-19-8-4-5-9-20(19)26(27)29-25(15)21)23(14-28-24)18-11-10-16-6-2-3-7-17(16)12-18/h2-14H,1H3
• InChIKey: HENQBVRFUNYWRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-methyl-15-(naphthalen-2-yl)-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one
• IUPAC传统名: 11-methyl-15-(naphthalen-2-yl)-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(17),2,4,6,10,12(16),14-heptaen-8-one

登记号

• PubChem SID: 164244166
• PubChem CID: 1780312

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.2345743
• LogD (pH = 7.4): 6.2345743
• Log P: 6.2345743
• 摩尔折射率: 112.4078 cm^3
• 极化性: 48.014427 Å^3
• 极化表面积: 39.44 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds