5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

HCID 370314

基本情報

標準SMILES: COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OC
InChIKey: FZHKGXFTVVEHNP-UHFFFAOYSA-N
分子式: C15H16O6
平均分子量: 292.28 g/mol

名称と識別子

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

名称と別名

MLS0007568165-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneIsopropylidene 3,4-dimethoxybenzylidene malonateNSC6431715-[(3,4-dimethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneSMR00052908167101-91-1cid_370314SCHEMBL9197946CHEMBL1214034BDBM52878HMS1612N11

名称をさらに表示

AKOS001658732NSC-643171NCI60_014637SR-01000082204SR-01000082204-12,2-dimethyl-5-veratrylidene-1,3-dioxane-4,6-quinone5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione #5-(3,4-dimethoxyphenylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

データベース識別子

PubChem CID: 370314
ChEMBL: CHEMBL1214034
Nikkaji: J2.962.278G

物性

構造計算による物性

XLogP: 2.7
極性表面積: 71.1 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 431