trideca-2,4,6,8,10-pentayne

C13H8 — CID 162849204

IUPACtrideca-2,4,6,8,10-pentayne
SMILESCC#CC#CC#CC#CC#CCC
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H2,1-2H3
InChIKeyUMQKGGFNSHNBJY-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.43
Rot. Bonds

About trideca-2,4,6,8,10-pentayne

trideca-2,4,6,8,10-pentayne (PubChem CID 162849204) has the molecular formula C13H8 and a molecular weight of 164.21 g/mol. Its IUPAC name is trideca-2,4,6,8,10-pentayne.

Molecular Properties

Compound Nametrideca-2,4,6,8,10-pentayne
PubChem CID162849204
Molecular FormulaC13H8
Molecular Weight164.21 g/mol
Exact Mass164.06
IUPAC Nametrideca-2,4,6,8,10-pentayne
SMILESCC#CC#CC#CC#CC#CCC
InChIInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H2,1-2H3
InChIKeyUMQKGGFNSHNBJY-UHFFFAOYSA-N
XLogP1.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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-2,4,6,8,10-pentayne?
The IUPAC name of trideca-2,4,6,8,10-pentayne (CID 162849204) is trideca-2,4,6,8,10-pentayne.
What is the SMILES notation for trideca-2,4,6,8,10-pentayne?
The canonical SMILES for trideca-2,4,6,8,10-pentayne is CC#CC#CC#CC#CC#CCC.
What is the InChIKey of trideca-2,4,6,8,10-pentayne?
The InChIKey is UMQKGGFNSHNBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H2,1-2H3.
What are the key properties of trideca-2,4,6,8,10-pentayne?
trideca-2,4,6,8,10-pentayne has a molecular weight of 164.21 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-2,4,6,8,10-pentayne is sourced from PubChem (CID 162849204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).