tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid

C12H14O2 — CID 11074200

IUPACtricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid
SMILESO=C(O)C1C23CC=CCC12CC=CC3
InChIInChI=1S/C12H14O2/c13-10(14)9-11-5-1-2-6-12(9,11)8-4-3-7-11/h1-4,9H,5-8H2,(H,13,14)
InChIKeyACZDUHCCUYHFCA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.37
Rot. Bonds1

About tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid

tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid (PubChem CID 11074200) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid.

Molecular Properties

Compound Nametricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid
PubChem CID11074200
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nametricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid
SMILESO=C(O)C1C23CC=CCC12CC=CC3
InChIInChI=1S/C12H14O2/c13-10(14)9-11-5-1-2-6-12(9,11)8-4-3-7-11/h1-4,9H,5-8H2,(H,13,14)
InChIKeyACZDUHCCUYHFCA-UHFFFAOYSA-N
XLogP2.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid?
The IUPAC name of tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid (CID 11074200) is tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid.
What is the SMILES notation for tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid?
The canonical SMILES for tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid is O=C(O)C1C23CC=CCC12CC=CC3.
What is the InChIKey of tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid?
The InChIKey is ACZDUHCCUYHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-10(14)9-11-5-1-2-6-12(9,11)8-4-3-7-11/h1-4,9H,5-8H2,(H,13,14).
What are the key properties of tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid?
tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid is sourced from PubChem (CID 11074200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).