methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate

C13H14O6 — CID 85231475

IUPACmethyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESCOC(=O)C1=CC2CC3(C)C(=O)OC(OC)(C2=O)C13
InChIInChI=1S/C13H14O6/c1-12-5-6-4-7(10(15)17-2)8(12)13(18-3,9(6)14)19-11(12)16/h4,6,8H,5H2,1-3H3
InChIKeyQPSYCCBTKHLQGC-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.21
Rot. Bonds2

About methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate

methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (PubChem CID 85231475) has the molecular formula C13H14O6 and a molecular weight of 266.25 g/mol. Its IUPAC name is methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
PubChem CID85231475
Molecular FormulaC13H14O6
Molecular Weight266.25 g/mol
Exact Mass266.08
IUPAC Namemethyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESCOC(=O)C1=CC2CC3(C)C(=O)OC(OC)(C2=O)C13
InChIInChI=1S/C13H14O6/c1-12-5-6-4-7(10(15)17-2)8(12)13(18-3,9(6)14)19-11(12)16/h4,6,8H,5H2,1-3H3
InChIKeyQPSYCCBTKHLQGC-UHFFFAOYSA-N
XLogP0.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate with MolForge

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Related Compounds

methyl (1R,4R,5R)-7,7-dimethoxy-5-methyl-8-oxo-5-prop-1-en-2-ylbicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 10924359
methyl (1R,2R,6R,7R)-11,11-dimethoxy-10-oxo-3-oxatricyclo[5.2.2.02,6]undec-8-ene-8-carboxylate
CID 15401612
Ktgaeamnmkxmaa-lqtjewousa-
CID 21672504
Methyl 3-methoxy-10,10-dimethyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 85273132
Methyl 3-methoxy-10-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 85280907
Methyl 3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 85308277
Methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate
CID 100982220
Methyl 3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
CID 100982224
Methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
CID 100982225
methyl (1R,4S,8S)-6,6-dimethoxy-5-oxo-8-[(E)-prop-1-enyl]bicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 101348295
methyl (1S,3R,6R,7R)-3-methoxy-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 10586883
methyl (1S,3R,6R,7R)-3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 10683155

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The IUPAC name of methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (CID 85231475) is methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.
What is the SMILES notation for methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The canonical SMILES for methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is COC(=O)C1=CC2CC3(C)C(=O)OC(OC)(C2=O)C13.
What is the InChIKey of methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The InChIKey is QPSYCCBTKHLQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O6/c1-12-5-6-4-7(10(15)17-2)8(12)13(18-3,9(6)14)19-11(12)16/h4,6,8H,5H2,1-3H3.
What are the key properties of methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is sourced from PubChem (CID 85231475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).