trideca-1,3,5,7,9,11-hexayne

C13H4 — CID 18335955

IUPACtrideca-1,3,5,7,9,11-hexayne
SMILESC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C13H4/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,2H3
InChIKeyHNGUYFVDCJNBEM-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.66
Rot. Bonds

About trideca-1,3,5,7,9,11-hexayne

trideca-1,3,5,7,9,11-hexayne (PubChem CID 18335955) has the molecular formula C13H4 and a molecular weight of 160.17 g/mol. Its IUPAC name is trideca-1,3,5,7,9,11-hexayne.

Molecular Properties

Compound Nametrideca-1,3,5,7,9,11-hexayne
PubChem CID18335955
Molecular FormulaC13H4
Molecular Weight160.17 g/mol
Exact Mass160.03
IUPAC Nametrideca-1,3,5,7,9,11-hexayne
SMILESC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C13H4/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,2H3
InChIKeyHNGUYFVDCJNBEM-UHFFFAOYSA-N
XLogP0.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trideca-1,3,5,7,9,11-hexayne?
The IUPAC name of trideca-1,3,5,7,9,11-hexayne (CID 18335955) is trideca-1,3,5,7,9,11-hexayne.
What is the SMILES notation for trideca-1,3,5,7,9,11-hexayne?
The canonical SMILES for trideca-1,3,5,7,9,11-hexayne is C#CC#CC#CC#CC#CC#CC.
What is the InChIKey of trideca-1,3,5,7,9,11-hexayne?
The InChIKey is HNGUYFVDCJNBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,2H3.
What are the key properties of trideca-1,3,5,7,9,11-hexayne?
trideca-1,3,5,7,9,11-hexayne has a molecular weight of 160.17 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-1,3,5,7,9,11-hexayne is sourced from PubChem (CID 18335955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).