hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile

C41HN — CID 58363682

IUPAChentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C41HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42/h1H
InChIKeyZOPKVQQHPFROKZ-UHFFFAOYSA-N
MW507.47 g/mol
LogP0.21
Rot. Bonds

About hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile

hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile (PubChem CID 58363682) has the molecular formula C41HN and a molecular weight of 507.47 g/mol. Its IUPAC name is hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile.

Molecular Properties

Compound Namehentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile
PubChem CID58363682
Molecular FormulaC41HN
Molecular Weight507.47 g/mol
Exact Mass507.01
IUPAC Namehentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C41HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42/h1H
InChIKeyZOPKVQQHPFROKZ-UHFFFAOYSA-N
XLogP0.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 50.21
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 hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile?
The IUPAC name of hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile (CID 58363682) is hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile.
What is the SMILES notation for hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile?
The canonical SMILES for hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile is C#CC#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 hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile?
The InChIKey is ZOPKVQQHPFROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42/h1H.
What are the key properties of hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile?
hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile has a molecular weight of 507.47 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile is sourced from PubChem (CID 58363682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).