undeca-2,4,6,8,10-pentaynenitrile

C11HN — CID 59741403

IUPACundeca-2,4,6,8,10-pentaynenitrile
SMILESC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C11HN/c1-2-3-4-5-6-7-8-9-10-11-12/h1H
InChIKeyVSPOLSIHZRDJDD-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.16
Rot. Bonds

About undeca-2,4,6,8,10-pentaynenitrile

undeca-2,4,6,8,10-pentaynenitrile (PubChem CID 59741403) has the molecular formula C11HN and a molecular weight of 147.14 g/mol. Its IUPAC name is undeca-2,4,6,8,10-pentaynenitrile.

Molecular Properties

Compound Nameundeca-2,4,6,8,10-pentaynenitrile
PubChem CID59741403
Molecular FormulaC11HN
Molecular Weight147.14 g/mol
Exact Mass147.01
IUPAC Nameundeca-2,4,6,8,10-pentaynenitrile
SMILESC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C11HN/c1-2-3-4-5-6-7-8-9-10-11-12/h1H
InChIKeyVSPOLSIHZRDJDD-UHFFFAOYSA-N
XLogP0.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.16
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 undeca-2,4,6,8,10-pentaynenitrile?
The IUPAC name of undeca-2,4,6,8,10-pentaynenitrile (CID 59741403) is undeca-2,4,6,8,10-pentaynenitrile.
What is the SMILES notation for undeca-2,4,6,8,10-pentaynenitrile?
The canonical SMILES for undeca-2,4,6,8,10-pentaynenitrile is C#CC#CC#CC#CC#CC#N.
What is the InChIKey of undeca-2,4,6,8,10-pentaynenitrile?
The InChIKey is VSPOLSIHZRDJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HN/c1-2-3-4-5-6-7-8-9-10-11-12/h1H.
What are the key properties of undeca-2,4,6,8,10-pentaynenitrile?
undeca-2,4,6,8,10-pentaynenitrile has a molecular weight of 147.14 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-2,4,6,8,10-pentaynenitrile is sourced from PubChem (CID 59741403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).