nona-2,4,6,8-tetraynenitrile

C9HN — CID 59741422

IUPACnona-2,4,6,8-tetraynenitrile
SMILESC#CC#CC#CC#CC#N
InChIInChI=1S/C9HN/c1-2-3-4-5-6-7-8-9-10/h1H
InChIKeyXBYCNIKNUFWLQZ-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.15
Rot. Bonds

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

nona-2,4,6,8-tetraynenitrile (PubChem CID 59741422) has the molecular formula C9HN and a molecular weight of 123.11 g/mol. Its IUPAC name is nona-2,4,6,8-tetraynenitrile.

Molecular Properties

Compound Namenona-2,4,6,8-tetraynenitrile
PubChem CID59741422
Molecular FormulaC9HN
Molecular Weight123.11 g/mol
Exact Mass123.01
IUPAC Namenona-2,4,6,8-tetraynenitrile
SMILESC#CC#CC#CC#CC#N
InChIInChI=1S/C9HN/c1-2-3-4-5-6-7-8-9-10/h1H
InChIKeyXBYCNIKNUFWLQZ-UHFFFAOYSA-N
XLogP0.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.15
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 nona-2,4,6,8-tetraynenitrile?
The IUPAC name of nona-2,4,6,8-tetraynenitrile (CID 59741422) is nona-2,4,6,8-tetraynenitrile.
What is the SMILES notation for nona-2,4,6,8-tetraynenitrile?
The canonical SMILES for nona-2,4,6,8-tetraynenitrile is C#CC#CC#CC#CC#N.
What is the InChIKey of nona-2,4,6,8-tetraynenitrile?
The InChIKey is XBYCNIKNUFWLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HN/c1-2-3-4-5-6-7-8-9-10/h1H.
What are the key properties of nona-2,4,6,8-tetraynenitrile?
nona-2,4,6,8-tetraynenitrile has a molecular weight of 123.11 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4,6,8-tetraynenitrile is sourced from PubChem (CID 59741422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).