dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate

C11H14O4 — CID 580211

IUPACdimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate
SMILESCOC(=O)C1CC2C=CC1(C(=O)OC)C2
InChIInChI=1S/C11H14O4/c1-14-9(12)8-5-7-3-4-11(8,6-7)10(13)15-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKNWOSFSDYKSGOX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.91
Rot. Bonds2

About dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate

dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate (PubChem CID 580211) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate
PubChem CID580211
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namedimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate
SMILESCOC(=O)C1CC2C=CC1(C(=O)OC)C2
InChIInChI=1S/C11H14O4/c1-14-9(12)8-5-7-3-4-11(8,6-7)10(13)15-2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKNWOSFSDYKSGOX-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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Related Compounds

Methyl nadic anhydride
CID 32802
Ethyl 5-norbornene-2-carboxylate
CID 24986
Dimethyl carbate
CID 10921747
5-Norbornene-2,3-dicarboxylic acid
CID 97965
Dimethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 38295
2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 98465
5-Norbornene-2,3-dicarboxylic acid, cis-endo-
CID 6541030
2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid
CID 136650
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 250075
cis-5-Norbornene-endo-2,3-dicarboxylic acid monomethyl ester
CID 11435525
3a-Methyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
CID 281947
Methylnadic anhydride
CID 6602188

Frequently Asked Questions

What is the IUPAC name of dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate (CID 580211) is dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate is COC(=O)C1CC2C=CC1(C(=O)OC)C2.
What is the InChIKey of dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate?
The InChIKey is KNWOSFSDYKSGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-9(12)8-5-7-3-4-11(8,6-7)10(13)15-2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of dimethyl bicyclo[2.2.1]hept-5-ene-1,2-dicarboxylate?
dimethyl bicyclo[2.2.1]hept-5-ene-1,2-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-5-ene-1,2-dicarboxylate is sourced from PubChem (CID 580211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).