pentadeca-2,4,6,8,10,12,14-heptaynenitrile

C15HN — CID 71414649

IUPACpentadeca-2,4,6,8,10,12,14-heptaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C15HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h1H
InChIKeyGJYFQXKFMJTDIF-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.16
Rot. Bonds

About pentadeca-2,4,6,8,10,12,14-heptaynenitrile

pentadeca-2,4,6,8,10,12,14-heptaynenitrile (PubChem CID 71414649) has the molecular formula C15HN and a molecular weight of 195.18 g/mol. Its IUPAC name is pentadeca-2,4,6,8,10,12,14-heptaynenitrile.

Molecular Properties

Compound Namepentadeca-2,4,6,8,10,12,14-heptaynenitrile
PubChem CID71414649
Molecular FormulaC15HN
Molecular Weight195.18 g/mol
Exact Mass195.01
IUPAC Namepentadeca-2,4,6,8,10,12,14-heptaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C15HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h1H
InChIKeyGJYFQXKFMJTDIF-UHFFFAOYSA-N
XLogP0.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
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 pentadeca-2,4,6,8,10,12,14-heptaynenitrile?
The IUPAC name of pentadeca-2,4,6,8,10,12,14-heptaynenitrile (CID 71414649) is pentadeca-2,4,6,8,10,12,14-heptaynenitrile.
What is the SMILES notation for pentadeca-2,4,6,8,10,12,14-heptaynenitrile?
The canonical SMILES for pentadeca-2,4,6,8,10,12,14-heptaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of pentadeca-2,4,6,8,10,12,14-heptaynenitrile?
The InChIKey is GJYFQXKFMJTDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h1H.
What are the key properties of pentadeca-2,4,6,8,10,12,14-heptaynenitrile?
pentadeca-2,4,6,8,10,12,14-heptaynenitrile has a molecular weight of 195.18 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 pentadeca-2,4,6,8,10,12,14-heptaynenitrile is sourced from PubChem (CID 71414649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).