heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile

C27HN — CID 59741352

IUPACheptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C27HN/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/h1H
InChIKeyLYBADQBWPZMHMQ-UHFFFAOYSA-N
MW339.31 g/mol
LogP0.18
Rot. Bonds

About heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile

heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile (PubChem CID 59741352) has the molecular formula C27HN and a molecular weight of 339.31 g/mol. Its IUPAC name is heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile.

Molecular Properties

Compound Nameheptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile
PubChem CID59741352
Molecular FormulaC27HN
Molecular Weight339.31 g/mol
Exact Mass339.01
IUPAC Nameheptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C27HN/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/h1H
InChIKeyLYBADQBWPZMHMQ-UHFFFAOYSA-N
XLogP0.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 50.18
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 heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile?
The IUPAC name of heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile (CID 59741352) is heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile.
What is the SMILES notation for heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile?
The canonical SMILES for heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile?
The InChIKey is LYBADQBWPZMHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27HN/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/h1H.
What are the key properties of heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile?
heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile has a molecular weight of 339.31 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaynenitrile is sourced from PubChem (CID 59741352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).