bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid

C10H12O4 — CID 14967332

IUPACbicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C2CCC1CC2
InChIInChI=1S/C10H12O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)
InChIKeyHDEZVVJUPXSHAN-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.27
Rot. Bonds2

About bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid

bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid (PubChem CID 14967332) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid.

Molecular Properties

Compound Namebicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid
PubChem CID14967332
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namebicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C2CCC1CC2
InChIInChI=1S/C10H12O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)
InChIKeyHDEZVVJUPXSHAN-UHFFFAOYSA-N
XLogP1.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid?
The IUPAC name of bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid (CID 14967332) is bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid.
What is the SMILES notation for bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid?
The canonical SMILES for bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid is O=C(O)C1=C(C(=O)O)C2CCC1CC2.
What is the InChIKey of bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid?
The InChIKey is HDEZVVJUPXSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid?
bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid is sourced from PubChem (CID 14967332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).