cyclonon-2-ene-1,1-dicarboxylic acid

C11H16O4 — CID 154315592

IUPACcyclonon-2-ene-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)C=CCCCCCC1
InChIInChI=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)
InChIKeyBJJGNHIAFXXGAD-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.05
Rot. Bonds2

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 Namecyclonon-2-ene-1,1-dicarboxylic acid
PubChem CID154315592
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namecyclonon-2-ene-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)C=CCCCCCC1
InChIInChI=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)
InChIKeyBJJGNHIAFXXGAD-UHFFFAOYSA-N
XLogP2.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
CID 118323024
(1Z)-3,3-difluorocyclooctene
CID 129263045
carbonic acid;cyclooctene
CID 161186055
3-fluoro-3-methylcyclooctene
CID 154031859
(2Z)-1-fluorocyclooct-2-ene-1-thiol
CID 174305731
diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
(2E)-1-ethynylcyclododec-2-en-1-ol
CID 134887616
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclooctane-1,1-dicarboxylic acid
CID 18521139
acetic acid;cyclohexene
CID 20501047
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281

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).