dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate

C15H14O6 — CID 139628483

IUPACdimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2OC1c1cccc(OC)c12
InChIInChI=1S/C15H14O6/c1-18-8-6-4-5-7-9(8)13-11(15(17)20-3)10(12(7)21-13)14(16)19-2/h4-6,12-13H,1-3H3
InChIKeyFMPYUDIMRLALFD-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.46
Rot. Bonds3

About dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate

dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate (PubChem CID 139628483) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
PubChem CID139628483
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namedimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2OC1c1cccc(OC)c12
InChIInChI=1S/C15H14O6/c1-18-8-6-4-5-7-9(8)13-11(15(17)20-3)10(12(7)21-13)14(16)19-2/h4-6,12-13H,1-3H3
InChIKeyFMPYUDIMRLALFD-UHFFFAOYSA-N
XLogP1.46
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate with MolForge

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Related Compounds

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1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate?
The IUPAC name of dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate (CID 139628483) is dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate?
The canonical SMILES for dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2OC1c1cccc(OC)c12.
What is the InChIKey of dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate?
The InChIKey is FMPYUDIMRLALFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-18-8-6-4-5-7-9(8)13-11(15(17)20-3)10(12(7)21-13)14(16)19-2/h4-6,12-13H,1-3H3.
What are the key properties of dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate?
dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate has a molecular weight of 290.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9,10-dicarboxylate is sourced from PubChem (CID 139628483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).