dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate

C14H16O6 — CID 14225572

IUPACdimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C23CCCC2CC(=O)C1O3
InChIInChI=1S/C14H16O6/c1-18-12(16)9-10(13(17)19-2)14-5-3-4-7(14)6-8(15)11(9)20-14/h7,11H,3-6H2,1-2H3
InChIKeyFZFOABJUWXMCBN-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.54
Rot. Bonds2

About dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate

dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate (PubChem CID 14225572) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate
PubChem CID14225572
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Namedimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C23CCCC2CC(=O)C1O3
InChIInChI=1S/C14H16O6/c1-18-12(16)9-10(13(17)19-2)14-5-3-4-7(14)6-8(15)11(9)20-14/h7,11H,3-6H2,1-2H3
InChIKeyFZFOABJUWXMCBN-UHFFFAOYSA-N
XLogP0.54
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (1S,5R)-1-(4-chlorophenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
CID 11783093
dimethyl 2-oxo-1,3,3a,4,5,6-hexahydropentalene-1,6a-dicarboxylate
CID 86185382
dimethyl 8,12-dioxo-16-oxa-9-azatetracyclo[11.2.1.01,9.02,7]hexadeca-2,4,6,14-tetraene-14,15-dicarboxylate
CID 85224942
dimethyl (1R,2R,5R,6R,7S,10S)-11-oxapentacyclo[4.4.1.12,5.17,10.01,6]tridec-3-ene-3,4-dicarboxylate
CID 125036203
methyl 3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate
CID 10965493
tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate
CID 14786939
dimethyl (3aS,7aR)-7a-methyl-7-oxo-2,3,3a,6-tetrahydro-1H-indene-4,5-dicarboxylate
CID 132509422
methyl 2-amino-4-oxo-1-oxa-3-azaspiro[4.4]non-2-ene-9-carboxylate
CID 10774882
tetramethyl 1-bromo-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4,9-triene-4,5,9,10-tetracarboxylate
CID 15247596
dimethyl 5,5-dimethyl-2-(4-methylphenyl)-2H-furan-3,4-dicarboxylate
CID 177414225
tetramethyl 1-acetyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4,9-triene-4,5,9,10-tetracarboxylate
CID 15247598
tetramethyl (1S,2R,3S,4R,7S,8S,9R,10R)-1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate
CID 71658181

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate?
The IUPAC name of dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate (CID 14225572) is dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate?
The canonical SMILES for dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate is COC(=O)C1=C(C(=O)OC)C23CCCC2CC(=O)C1O3.
What is the InChIKey of dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate?
The InChIKey is FZFOABJUWXMCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c1-18-12(16)9-10(13(17)19-2)14-5-3-4-7(14)6-8(15)11(9)20-14/h7,11H,3-6H2,1-2H3.
What are the key properties of dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate?
dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate has a molecular weight of 280.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-oxo-11-oxatricyclo[6.2.1.01,5]undec-9-ene-9,10-dicarboxylate is sourced from PubChem (CID 14225572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).