nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile

C39HN — CID 58363681

IUPACnonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C39HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40/h1H
InChIKeyZDXNVNAYESQJNJ-UHFFFAOYSA-N
MW483.44 g/mol
LogP0.20
Rot. Bonds

About nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile

nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile (PubChem CID 58363681) has the molecular formula C39HN and a molecular weight of 483.44 g/mol. Its IUPAC name is nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile.

Molecular Properties

Compound Namenonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile
PubChem CID58363681
Molecular FormulaC39HN
Molecular Weight483.44 g/mol
Exact Mass483.01
IUPAC Namenonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C39HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40/h1H
InChIKeyZDXNVNAYESQJNJ-UHFFFAOYSA-N
XLogP0.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 50.20
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 nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile?
The IUPAC name of nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile (CID 58363681) is nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile.
What is the SMILES notation for nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile?
The canonical SMILES for nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile?
The InChIKey is ZDXNVNAYESQJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40/h1H.
What are the key properties of nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile?
nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile has a molecular weight of 483.44 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile is sourced from PubChem (CID 58363681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).