dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate

C12H16O8 — CID 77257183

IUPACdimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate
SMILESCOC(=O)C1C=C(OC)OC(C(=O)OC)C=C(OC)O1
InChIInChI=1S/C12H16O8/c1-15-9-5-7(11(13)17-3)20-10(16-2)6-8(19-9)12(14)18-4/h5-8H,1-4H3
InChIKeyWPMSKEQTPOGHFL-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.09
Rot. Bonds4

About dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate

dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate (PubChem CID 77257183) has the molecular formula C12H16O8 and a molecular weight of 288.25 g/mol. Its IUPAC name is dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate
PubChem CID77257183
Molecular FormulaC12H16O8
Molecular Weight288.25 g/mol
Exact Mass288.08
IUPAC Namedimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate
SMILESCOC(=O)C1C=C(OC)OC(C(=O)OC)C=C(OC)O1
InChIInChI=1S/C12H16O8/c1-15-9-5-7(11(13)17-3)20-10(16-2)6-8(19-9)12(14)18-4/h5-8H,1-4H3
InChIKeyWPMSKEQTPOGHFL-UHFFFAOYSA-N
XLogP0.09
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-hydroxy-5-oxo-2H-furan-2-carboxylate
CID 90470554
methyl (2S,3S)-2,4-dimethyl-6-oxo-2,3-dihydropyran-3-carboxylate
CID 100968383
tetramethyl cyclohexa-2,5-diene-1,2,3,4-tetracarboxylate
CID 101243540
dimethyl (1S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 11020143
dimethyl (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 98044884
methyl (3Z,7Z)-6-(formyloxymethyl)-8-(hydroxymethyl)-4-methyl-2,6-dihydro-1,5-dioxocine-2-carboxylate
CID 88957377
dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;methane
CID 159731557
methyl (2S,6S)-2-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 131850418
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
dimethyl (3S,4R)-11-oxabicyclo[4.4.1]undeca-1,5-diene-3,4-dicarboxylate
CID 10491969
CID 88581789
CID 88581789
tetramethyl (1R,2S,3S,4S,5S,6S,7R,8S)-tricyclo[4.2.2.02,5]dec-9-ene-3,4,7,8-tetracarboxylate
CID 129426302

Frequently Asked Questions

What is the IUPAC name of dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate (CID 77257183) is dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate is COC(=O)C1C=C(OC)OC(C(=O)OC)C=C(OC)O1.
What is the InChIKey of dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate?
The InChIKey is WPMSKEQTPOGHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O8/c1-15-9-5-7(11(13)17-3)20-10(16-2)6-8(19-9)12(14)18-4/h5-8H,1-4H3.
What are the key properties of dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate?
dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate has a molecular weight of 288.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,8-dimethoxy-2,6-dihydro-1,5-dioxocine-2,6-dicarboxylate is sourced from PubChem (CID 77257183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).