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

HCID 370323
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Basic information

Standard SMILES
COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC
InChIKey
QEXAKWRHBFEIIE-UHFFFAOYSA-N
Molecular formula
C16H18O7
Average molar mass
322.31 g/mol

Names & identifiers

Preferred name
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

Names & synonyms

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
Show more names
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

Database identifiers

PubChem CID
370323
ChEMBL
CHEMBL1214098
Nikkaji
J2.421.311K

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Linked notes

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