2,2-Dimethyl-5-(3,4,5-trimethoxybenzylidene)-1,3-dioxane-4,6-dione

HCID 370323

基本情報

標準SMILES: COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC
InChIKey: QEXAKWRHBFEIIE-UHFFFAOYSA-N
分子式: C16H18O7
平均分子量: 322.31 g/mol

名称と識別子

優先名称: 2,2-Dimethyl-5-(3,4,5-trimethoxybenzylidene)-1,3-dioxane-4,6-dione
IUPAC: 2,2-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione

名称と別名

2,2-Dimethyl-5-(3,4,5-trimethoxybenzylidene)-1,3-dioxane-4,6-dioneNSC643182QEXAKWRHBFEIIE-UHFFFAOYSA-N2,2-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dioneSCHEMBL9247437CHEMBL1214098STL379390AKOS002342173NSC-643182NCI60_014647Isopropylidene-3,5-trimethoxybenzylidene malonateAM-879/41780243

名称をさらに表示

Isopropylidene-3,4,5-trimethoxybenzylidene malonate2,2-dimethyl-5-[(3,4,5-trimethoxyphenyl)methylene]-1,3-dioxane-4,6-dione5-(3,4,5-trimethoxyphenylmethylene)- 2,2-dimethyl-1,3-dioxane-4,6-dione5-(3,4,5-trimethoxyphenylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

データベース識別子

PubChem CID: 370323
ChEMBL: CHEMBL1214098
Nikkaji: J2.421.311K

物性

構造計算による物性

XLogP: 2.7
極性表面積: 80.3 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 23
形式電荷: 0
複雑度: 461