dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate

C13H14O7 — CID 102311064

IUPACdimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C)C=C(OC)C(=O)C1O2
InChIInChI=1S/C13H14O7/c1-13-5-6(17-2)9(14)10(20-13)7(11(15)18-3)8(13)12(16)19-4/h5,10H,1-4H3
InChIKeyPMVBHXXNRVQDMF-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.10
Rot. Bonds3

About dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate

dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate (PubChem CID 102311064) has the molecular formula C13H14O7 and a molecular weight of 282.25 g/mol. Its IUPAC name is dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate
PubChem CID102311064
Molecular FormulaC13H14O7
Molecular Weight282.25 g/mol
Exact Mass282.07
IUPAC Namedimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C)C=C(OC)C(=O)C1O2
InChIInChI=1S/C13H14O7/c1-13-5-6(17-2)9(14)10(20-13)7(11(15)18-3)8(13)12(16)19-4/h5,10H,1-4H3
InChIKeyPMVBHXXNRVQDMF-UHFFFAOYSA-N
XLogP-0.10
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate with MolForge

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Related Compounds

Ethyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
CID 102311065
Tert-butyl 2-(3,6-dioxopyran-2-yl)acetate
CID 54579183
dimethyl (1S,5S)-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate
CID 135080689
dimethyl (Z)-2-(2,5-dimethyl-3-oxofuran-2-yl)but-2-enedioate
CID 146018832
Ethyl 3-methoxy-5,7-dimethyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
CID 164685822
Methyl 3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
CID 102311066
methyl (1S,5S)-3-methoxy-5-methyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
CID 132050556
dimethyl (1R,5R)-3-methoxy-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate
CID 73055789
Dimethyl 3-methoxy-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate
CID 102125229

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate?
The IUPAC name of dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate (CID 102311064) is dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate?
The canonical SMILES for dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(C)C=C(OC)C(=O)C1O2.
What is the InChIKey of dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate?
The InChIKey is PMVBHXXNRVQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O7/c1-13-5-6(17-2)9(14)10(20-13)7(11(15)18-3)8(13)12(16)19-4/h5,10H,1-4H3.
What are the key properties of dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate?
dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate has a molecular weight of 282.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methoxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]octa-2,6-diene-6,7-dicarboxylate is sourced from PubChem (CID 102311064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).