trideca-3,5,11,12-tetraen-7,9-diynoic acid

C13H10O2 — CID 162983348

IUPACtrideca-3,5,11,12-tetraen-7,9-diynoic acid
SMILESC=C=CC#CC#CC=CC=CCC(=O)O
InChIInChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h3,8-11H,1,12H2,(H,14,15)
InChIKeyFYYSFRAFIZSQFI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.92
Rot. Bonds3

About trideca-3,5,11,12-tetraen-7,9-diynoic acid

trideca-3,5,11,12-tetraen-7,9-diynoic acid (PubChem CID 162983348) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is trideca-3,5,11,12-tetraen-7,9-diynoic acid.

Molecular Properties

Compound Nametrideca-3,5,11,12-tetraen-7,9-diynoic acid
PubChem CID162983348
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Nametrideca-3,5,11,12-tetraen-7,9-diynoic acid
SMILESC=C=CC#CC#CC=CC=CCC(=O)O
InChIInChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h3,8-11H,1,12H2,(H,14,15)
InChIKeyFYYSFRAFIZSQFI-UHFFFAOYSA-N
XLogP1.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trideca-3,5,11,12-tetraen-7,9-diynoic 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 trideca-3,5,11,12-tetraen-7,9-diynoic acid?
The IUPAC name of trideca-3,5,11,12-tetraen-7,9-diynoic acid (CID 162983348) is trideca-3,5,11,12-tetraen-7,9-diynoic acid.
What is the SMILES notation for trideca-3,5,11,12-tetraen-7,9-diynoic acid?
The canonical SMILES for trideca-3,5,11,12-tetraen-7,9-diynoic acid is C=C=CC#CC#CC=CC=CCC(=O)O.
What is the InChIKey of trideca-3,5,11,12-tetraen-7,9-diynoic acid?
The InChIKey is FYYSFRAFIZSQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h3,8-11H,1,12H2,(H,14,15).
What are the key properties of trideca-3,5,11,12-tetraen-7,9-diynoic acid?
trideca-3,5,11,12-tetraen-7,9-diynoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-3,5,11,12-tetraen-7,9-diynoic acid is sourced from PubChem (CID 162983348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).