dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate

C11H14O4 — CID 22661623

IUPACdimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate
SMILESCOC(=O)C1C2=CCC(C2)C1C(=O)OC
InChIInChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3,7-9H,4-5H2,1-2H3
InChIKeyREVUWBPVQPLFOM-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.91
Rot. Bonds2

About dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate

dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate (PubChem CID 22661623) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate
PubChem CID22661623
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namedimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate
SMILESCOC(=O)C1C2=CCC(C2)C1C(=O)OC
InChIInChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3,7-9H,4-5H2,1-2H3
InChIKeyREVUWBPVQPLFOM-UHFFFAOYSA-N
XLogP0.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate?
The IUPAC name of dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate (CID 22661623) is dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate?
The canonical SMILES for dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate is COC(=O)C1C2=CCC(C2)C1C(=O)OC.
What is the InChIKey of dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate?
The InChIKey is REVUWBPVQPLFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3,7-9H,4-5H2,1-2H3.
What are the key properties of dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate?
dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl bicyclo[2.2.1]hept-1(6)-ene-2,3-dicarboxylate is sourced from PubChem (CID 22661623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).