deca-2,4,6,8-tetraynenitrile

C10H3N — CID 57469325

IUPACdeca-2,4,6,8-tetraynenitrile
SMILESCC#CC#CC#CC#CC#N
InChIInChI=1S/C10H3N/c1-2-3-4-5-6-7-8-9-10-11/h1H3
InChIKeyJAZGYQZPDOXVLO-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.54
Rot. Bonds

About deca-2,4,6,8-tetraynenitrile

deca-2,4,6,8-tetraynenitrile (PubChem CID 57469325) has the molecular formula C10H3N and a molecular weight of 137.14 g/mol. Its IUPAC name is deca-2,4,6,8-tetraynenitrile.

Molecular Properties

Compound Namedeca-2,4,6,8-tetraynenitrile
PubChem CID57469325
Molecular FormulaC10H3N
Molecular Weight137.14 g/mol
Exact Mass137.03
IUPAC Namedeca-2,4,6,8-tetraynenitrile
SMILESCC#CC#CC#CC#CC#N
InChIInChI=1S/C10H3N/c1-2-3-4-5-6-7-8-9-10-11/h1H3
InChIKeyJAZGYQZPDOXVLO-UHFFFAOYSA-N
XLogP0.54
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.54
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 deca-2,4,6,8-tetraynenitrile?
The IUPAC name of deca-2,4,6,8-tetraynenitrile (CID 57469325) is deca-2,4,6,8-tetraynenitrile.
What is the SMILES notation for deca-2,4,6,8-tetraynenitrile?
The canonical SMILES for deca-2,4,6,8-tetraynenitrile is CC#CC#CC#CC#CC#N.
What is the InChIKey of deca-2,4,6,8-tetraynenitrile?
The InChIKey is JAZGYQZPDOXVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3N/c1-2-3-4-5-6-7-8-9-10-11/h1H3.
What are the key properties of deca-2,4,6,8-tetraynenitrile?
deca-2,4,6,8-tetraynenitrile has a molecular weight of 137.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-2,4,6,8-tetraynenitrile is sourced from PubChem (CID 57469325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).