nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile

C29HN — CID 59741356

IUPACnonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C29HN/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/h1H
InChIKeyNFKYQMHAYJSBFU-UHFFFAOYSA-N
MW363.33 g/mol
LogP0.19
Rot. Bonds

About nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile

nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile (PubChem CID 59741356) has the molecular formula C29HN and a molecular weight of 363.33 g/mol. Its IUPAC name is nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile.

Molecular Properties

Compound Namenonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile
PubChem CID59741356
Molecular FormulaC29HN
Molecular Weight363.33 g/mol
Exact Mass363.01
IUPAC Namenonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C29HN/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/h1H
InChIKeyNFKYQMHAYJSBFU-UHFFFAOYSA-N
XLogP0.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 50.19
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
2,4,6,8,10,12,14,16-Heptadecaoctaynenitrile
CID 59741384
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

Frequently Asked Questions

What is the IUPAC name of nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile?
The IUPAC name of nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile (CID 59741356) is nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile.
What is the SMILES notation for nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile?
The canonical SMILES for nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile?
The InChIKey is NFKYQMHAYJSBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29HN/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/h1H.
What are the key properties of nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile?
nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile has a molecular weight of 363.33 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonacosa-2,4,6,8,10,12,14,16,18,20,22,24,26,28-tetradecaynenitrile is sourced from PubChem (CID 59741356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).