tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid

C14H14O4 — CID 59449155

IUPACtetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C2C3CC(C4C=CCC43)C12
InChIInChI=1S/C14H14O4/c15-13(16)11-9-7-4-8(6-3-1-2-5(6)7)10(9)12(11)14(17)18/h1-2,5-10H,3-4H2,(H,15,16)(H,17,18)
InChIKeySQOHQEMIZCMDET-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.54
Rot. Bonds2

About tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid

tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid (PubChem CID 59449155) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid.

Molecular Properties

Compound Nametetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid
PubChem CID59449155
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nametetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid
SMILESO=C(O)C1=C(C(=O)O)C2C3CC(C4C=CCC43)C12
InChIInChI=1S/C14H14O4/c15-13(16)11-9-7-4-8(6-3-1-2-5(6)7)10(9)12(11)14(17)18/h1-2,5-10H,3-4H2,(H,15,16)(H,17,18)
InChIKeySQOHQEMIZCMDET-UHFFFAOYSA-N
XLogP1.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid?
The IUPAC name of tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid (CID 59449155) is tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid.
What is the SMILES notation for tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid?
The canonical SMILES for tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid is O=C(O)C1=C(C(=O)O)C2C3CC(C4C=CCC43)C12.
What is the InChIKey of tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid?
The InChIKey is SQOHQEMIZCMDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-13(16)11-9-7-4-8(6-3-1-2-5(6)7)10(9)12(11)14(17)18/h1-2,5-10H,3-4H2,(H,15,16)(H,17,18).
What are the key properties of tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid?
tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid has a molecular weight of 246.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[5.4.1.02,6.08,11]dodeca-3,9-diene-9,10-dicarboxylic acid is sourced from PubChem (CID 59449155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).