8-methoxy-2,2,12-trimethyl-2,3,4,10-tetrahydro-1,11-dioxatetraphen-10-one

• ChemBase编号: 218911
• 分子式: C20H20O4
• 平均质量: 324.3704
• 单一同位素质量: 324.13615912
• SMILES: c12c(c3c(c(=O)o1)cc(cc3)OC)cc1c(c2C)OC(CC1)(C)C
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2CCC(Oc2c1C)(C)C
• InChI: InChI=1S/C20H20O4/c1-11-17-12(7-8-20(2,3)24-17)9-15-14-6-5-13(22-4)10-16(14)19(21)23-18(11)15/h5-6,9-10H,7-8H2,1-4H3
• InChIKey: QFEOTCMOMOMHDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methoxy-2,2,12-trimethyl-2,3,4,10-tetrahydro-1,11-dioxatetraphen-10-one
• IUPAC传统名: 8-methoxy-2,2,12-trimethyl-3,4-dihydro-1,11-dioxatetraphen-10-one

登记号

• PubChem SID: 164274821
• PubChem CID: 16408851

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.305015
• LogD (pH = 7.4): 4.305015
• Log P: 4.305015
• 摩尔折射率: 91.8743 cm^3
• 极化性: 36.467293 Å^3
• 极化表面积: 44.76 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