trideca-2,4,6,8,10,12-hexaynenitrile

C13HN — CID 59741383

IUPACtrideca-2,4,6,8,10,12-hexaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C13HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1H
InChIKeyOROZKPLETKDYMP-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.16
Rot. Bonds

About trideca-2,4,6,8,10,12-hexaynenitrile

trideca-2,4,6,8,10,12-hexaynenitrile (PubChem CID 59741383) has the molecular formula C13HN and a molecular weight of 171.16 g/mol. Its IUPAC name is trideca-2,4,6,8,10,12-hexaynenitrile.

Molecular Properties

Compound Nametrideca-2,4,6,8,10,12-hexaynenitrile
PubChem CID59741383
Molecular FormulaC13HN
Molecular Weight171.16 g/mol
Exact Mass171.01
IUPAC Nametrideca-2,4,6,8,10,12-hexaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C13HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1H
InChIKeyOROZKPLETKDYMP-UHFFFAOYSA-N
XLogP0.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2,4,6,8,10,12-hexaynenitrile?
The IUPAC name of trideca-2,4,6,8,10,12-hexaynenitrile (CID 59741383) is trideca-2,4,6,8,10,12-hexaynenitrile.
What is the SMILES notation for trideca-2,4,6,8,10,12-hexaynenitrile?
The canonical SMILES for trideca-2,4,6,8,10,12-hexaynenitrile is C#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of trideca-2,4,6,8,10,12-hexaynenitrile?
The InChIKey is OROZKPLETKDYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1H.
What are the key properties of trideca-2,4,6,8,10,12-hexaynenitrile?
trideca-2,4,6,8,10,12-hexaynenitrile has a molecular weight of 171.16 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-2,4,6,8,10,12-hexaynenitrile is sourced from PubChem (CID 59741383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).