(3E)-trideca-1,3-dien-5,7,9,11-tetrayne

C13H8 — CID 5352699

IUPAC(3E)-trideca-1,3-dien-5,7,9,11-tetrayne
SMILESC=C/C=C/C#CC#CC#CC#CC
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3/b7-5+
InChIKeyPXQLZFYDZKYLPY-FNORWQNLSA-N
MW164.21 g/mol
LogP1.76
Rot. Bonds1

About (3E)-trideca-1,3-dien-5,7,9,11-tetrayne

(3E)-trideca-1,3-dien-5,7,9,11-tetrayne (PubChem CID 5352699) has the molecular formula C13H8 and a molecular weight of 164.21 g/mol. Its IUPAC name is (3E)-trideca-1,3-dien-5,7,9,11-tetrayne.

Molecular Properties

Compound Name(3E)-trideca-1,3-dien-5,7,9,11-tetrayne
PubChem CID5352699
Molecular FormulaC13H8
Molecular Weight164.21 g/mol
Exact Mass164.06
IUPAC Name(3E)-trideca-1,3-dien-5,7,9,11-tetrayne
SMILESC=C/C=C/C#CC#CC#CC#CC
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3/b7-5+
InChIKeyPXQLZFYDZKYLPY-FNORWQNLSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E)-trideca-1,3-dien-5,7,9,11-tetrayne 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 (3E)-trideca-1,3-dien-5,7,9,11-tetrayne?
The IUPAC name of (3E)-trideca-1,3-dien-5,7,9,11-tetrayne (CID 5352699) is (3E)-trideca-1,3-dien-5,7,9,11-tetrayne.
What is the SMILES notation for (3E)-trideca-1,3-dien-5,7,9,11-tetrayne?
The canonical SMILES for (3E)-trideca-1,3-dien-5,7,9,11-tetrayne is C=C/C=C/C#CC#CC#CC#CC.
What is the InChIKey of (3E)-trideca-1,3-dien-5,7,9,11-tetrayne?
The InChIKey is PXQLZFYDZKYLPY-FNORWQNLSA-N. The full InChI is InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7H,1H2,2H3/b7-5+.
What are the key properties of (3E)-trideca-1,3-dien-5,7,9,11-tetrayne?
(3E)-trideca-1,3-dien-5,7,9,11-tetrayne has a molecular weight of 164.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-trideca-1,3-dien-5,7,9,11-tetrayne is sourced from PubChem (CID 5352699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).