Cyclonon-2-ene-1,1-dicarboxylic acid

C₁₁H₁₆O₄ — CID 154315592

About Cyclonon-2-ene-1,1-dicarboxylic acid

Cyclonon-2-ene-1,1-dicarboxylic acid (PubChem CID 154315592) has the molecular formula C₁₁H₁₆O₄ and a molecular weight of 212.24 g/mol. Its IUPAC name is cyclonon-2-ene-1,1-dicarboxylic acid.

Molecular Properties

• Compound Name: Cyclonon-2-ene-1,1-dicarboxylic acid
• PubChem CID: 154315592
• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.24 g/mol
• Exact Mass: 212.10
• IUPAC Name: cyclonon-2-ene-1,1-dicarboxylic acid
• SMILES: O=C(O)C1(C(=O)O)C=CCCCCCC1
• InChI: InChI=1S/C11H16O4/c12-9(13)11(10(14)15)7-5-3-1-2-4-6-8-11/h5,7H,1-4,6,8H2,(H,12,13)(H,14,15)
• InChIKey: BJJGNHIAFXXGAD-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.24
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cyclonon-2-ene-1,1-dicarboxylic acid?

The IUPAC name of Cyclonon-2-ene-1,1-dicarboxylic acid (CID 154315592) is cyclonon-2-ene-1,1-dicarboxylic acid.

What is the SMILES notation for Cyclonon-2-ene-1,1-dicarboxylic acid?

The canonical SMILES for Cyclonon-2-ene-1,1-dicarboxylic acid is O=C(O)C1(C(=O)O)C=CCCCCCC1.

What is the InChIKey of Cyclonon-2-ene-1,1-dicarboxylic acid?

The InChIKey is BJJGNHIAFXXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-9(13)11(10(14)15)7-5-3-1-2-4-6-8-11/h5,7H,1-4,6,8H2,(H,12,13)(H,14,15).

What are the key properties of Cyclonon-2-ene-1,1-dicarboxylic acid?

Cyclonon-2-ene-1,1-dicarboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclonon-2-ene-1,1-dicarboxylic acid is sourced from PubChem (CID 154315592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154315592 — identifiers, structure, computed properties (public domain)

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