5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

C11H14O4 — CID 21437389

IUPAC5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESCC1=C(C)C2CC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C11H14O4/c1-4-5(2)7-3-6(4)8(10(12)13)9(7)11(14)15/h6-9H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYZJCSKJEZWDNFE-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.37
Rot. Bonds2

About 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (PubChem CID 21437389) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
PubChem CID21437389
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESCC1=C(C)C2CC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C11H14O4/c1-4-5(2)7-3-6(4)8(10(12)13)9(7)11(14)15/h6-9H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYZJCSKJEZWDNFE-UHFFFAOYSA-N
XLogP1.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The IUPAC name of 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (CID 21437389) is 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
What is the SMILES notation for 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The canonical SMILES for 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is CC1=C(C)C2CC1C(C(=O)O)C2C(=O)O.
What is the InChIKey of 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The InChIKey is YZJCSKJEZWDNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-5(2)7-3-6(4)8(10(12)13)9(7)11(14)15/h6-9H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is sourced from PubChem (CID 21437389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).