(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne

C13H10 — CID 5322029

IUPAC(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne
SMILESC=C/C=C/C=C/C#CC#CC#CC
InChIInChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3/b7-5+,11-9+
InChIKeyAJWRNFIZKHPOHC-JEGFTUTRSA-N
MW166.22 g/mol
LogP2.31
Rot. Bonds2

About (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne

(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne (PubChem CID 5322029) has the molecular formula C13H10 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne.

Molecular Properties

Compound Name(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne
PubChem CID5322029
Molecular FormulaC13H10
Molecular Weight166.22 g/mol
Exact Mass166.08
IUPAC Name(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne
SMILESC=C/C=C/C=C/C#CC#CC#CC
InChIInChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3/b7-5+,11-9+
InChIKeyAJWRNFIZKHPOHC-JEGFTUTRSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.31
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne?
The IUPAC name of (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne (CID 5322029) is (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne.
What is the SMILES notation for (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne?
The canonical SMILES for (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne is C=C/C=C/C=C/C#CC#CC#CC.
What is the InChIKey of (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne?
The InChIKey is AJWRNFIZKHPOHC-JEGFTUTRSA-N. The full InChI is InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7,9,11H,1H2,2H3/b7-5+,11-9+.
What are the key properties of (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne?
(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne has a molecular weight of 166.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne is sourced from PubChem (CID 5322029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).