henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile

C21HN — CID 59741354

IUPAChenicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C21HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h1H
InChIKeyZRLIIOXTGNLESO-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.17
Rot. Bonds

About henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile

henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile (PubChem CID 59741354) has the molecular formula C21HN and a molecular weight of 267.25 g/mol. Its IUPAC name is henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile.

Molecular Properties

Compound Namehenicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile
PubChem CID59741354
Molecular FormulaC21HN
Molecular Weight267.25 g/mol
Exact Mass267.01
IUPAC Namehenicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C21HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h1H
InChIKeyZRLIIOXTGNLESO-UHFFFAOYSA-N
XLogP0.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.17
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 henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile?
The IUPAC name of henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile (CID 59741354) is henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile.
What is the SMILES notation for henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile?
The canonical SMILES for henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile?
The InChIKey is ZRLIIOXTGNLESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h1H.
What are the key properties of henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile?
henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile has a molecular weight of 267.25 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for henicosa-2,4,6,8,10,12,14,16,18,20-decaynenitrile is sourced from PubChem (CID 59741354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).