heptadeca-2,4,6,8,10,12,14,16-octaynenitrile

C17HN — CID 59741384

IUPACheptadeca-2,4,6,8,10,12,14,16-octaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C17HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h1H
InChIKeyQNNDJGQLCGXFHA-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.17
Rot. Bonds

About heptadeca-2,4,6,8,10,12,14,16-octaynenitrile

heptadeca-2,4,6,8,10,12,14,16-octaynenitrile (PubChem CID 59741384) has the molecular formula C17HN and a molecular weight of 219.20 g/mol. Its IUPAC name is heptadeca-2,4,6,8,10,12,14,16-octaynenitrile.

Molecular Properties

Compound Nameheptadeca-2,4,6,8,10,12,14,16-octaynenitrile
PubChem CID59741384
Molecular FormulaC17HN
Molecular Weight219.20 g/mol
Exact Mass219.01
IUPAC Nameheptadeca-2,4,6,8,10,12,14,16-octaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C17HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h1H
InChIKeyQNNDJGQLCGXFHA-UHFFFAOYSA-N
XLogP0.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
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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Related Compounds

Cyanobutadiene
CID 108850
Hepta-2,4,6-triynenitrile
CID 21028424
Undeca-2,4,6,8,10-pentaynenitrile
CID 59741403
Nona-2,4,6,8-tetraynenitrile
CID 59741422
Trideca-2,4,6,8,10,12-hexaynenitrile
CID 59741383
Pentadeca-2,4,6,8,10,12,14-heptaynenitrile
CID 71414649
Deutero-cyanobutadiyne
CID 129668546
Tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaynenitrile
CID 58363680
Nonatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecaynenitrile
CID 58363681
Hentetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-icosaynenitrile
CID 58363682
Nonadecahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118-nonapentacontaynenitrile
CID 59741321
Nonahexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68-tetratriacontaynenitrile
CID 59741322

Frequently Asked Questions

What is the IUPAC name of heptadeca-2,4,6,8,10,12,14,16-octaynenitrile?
The IUPAC name of heptadeca-2,4,6,8,10,12,14,16-octaynenitrile (CID 59741384) is heptadeca-2,4,6,8,10,12,14,16-octaynenitrile.
What is the SMILES notation for heptadeca-2,4,6,8,10,12,14,16-octaynenitrile?
The canonical SMILES for heptadeca-2,4,6,8,10,12,14,16-octaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of heptadeca-2,4,6,8,10,12,14,16-octaynenitrile?
The InChIKey is QNNDJGQLCGXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h1H.
What are the key properties of heptadeca-2,4,6,8,10,12,14,16-octaynenitrile?
heptadeca-2,4,6,8,10,12,14,16-octaynenitrile has a molecular weight of 219.20 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 heptadeca-2,4,6,8,10,12,14,16-octaynenitrile is sourced from PubChem (CID 59741384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).