trideca-1,3,5,7,9-pentayne

C13H8 — CID 139646581

IUPACtrideca-1,3,5,7,9-pentayne
SMILESC#CC#CC#CC#CC#CCCC
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4,6H2,2H3
InChIKeyLPTIRQLXCKNTBX-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.43
Rot. Bonds1

About trideca-1,3,5,7,9-pentayne

trideca-1,3,5,7,9-pentayne (PubChem CID 139646581) has the molecular formula C13H8 and a molecular weight of 164.21 g/mol. Its IUPAC name is trideca-1,3,5,7,9-pentayne.

Molecular Properties

Compound Nametrideca-1,3,5,7,9-pentayne
PubChem CID139646581
Molecular FormulaC13H8
Molecular Weight164.21 g/mol
Exact Mass164.06
IUPAC Nametrideca-1,3,5,7,9-pentayne
SMILESC#CC#CC#CC#CC#CCCC
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4,6H2,2H3
InChIKeyLPTIRQLXCKNTBX-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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-pentayne?
The IUPAC name of trideca-1,3,5,7,9-pentayne (CID 139646581) is trideca-1,3,5,7,9-pentayne.
What is the SMILES notation for trideca-1,3,5,7,9-pentayne?
The canonical SMILES for trideca-1,3,5,7,9-pentayne is C#CC#CC#CC#CC#CCCC.
What is the InChIKey of trideca-1,3,5,7,9-pentayne?
The InChIKey is LPTIRQLXCKNTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4,6H2,2H3.
What are the key properties of trideca-1,3,5,7,9-pentayne?
trideca-1,3,5,7,9-pentayne has a molecular weight of 164.21 g/mol, XLogP of 1.43, 1 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-pentayne is sourced from PubChem (CID 139646581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).