dodecane-5,5,6,6-tetracarbonitrile

C16H22N4 — CID 88846112

IUPACdodecane-5,5,6,6-tetracarbonitrile
SMILESCCCCCC(C#N)(C#N)C(C#N)(C#N)CCCCC
InChIInChI=1S/C16H22N4/c1-3-5-7-9-15(11-17,12-18)16(13-19,14-20)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyFUXQDBRXGCGNCT-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.21
Rot. Bonds9

About dodecane-5,5,6,6-tetracarbonitrile

dodecane-5,5,6,6-tetracarbonitrile (PubChem CID 88846112) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is dodecane-5,5,6,6-tetracarbonitrile.

Molecular Properties

Compound Namedodecane-5,5,6,6-tetracarbonitrile
PubChem CID88846112
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Namedodecane-5,5,6,6-tetracarbonitrile
SMILESCCCCCC(C#N)(C#N)C(C#N)(C#N)CCCCC
InChIInChI=1S/C16H22N4/c1-3-5-7-9-15(11-17,12-18)16(13-19,14-20)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyFUXQDBRXGCGNCT-UHFFFAOYSA-N
XLogP4.21
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2,2,3-trimethyloctanenitrile
CID 80560062
2,2-bis(prop-2-enyl)heptanenitrile
CID 87904800
boric acid;2-hexyl-2-methyloctanenitrile
CID 175281254
2-[1-[(6-cyano-6-hexyldodecan-5-yl)diazenyl]pentyl]-2-hexyloctanenitrile
CID 141423537
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213
2-methyl-2-(methylamino)-6-pentylsulfanylhexanenitrile
CID 107754927
6,6-dipentylundecane
CID 19690398
9-octylheptadecan-9-yl thiocyanate
CID 57184899
2-acetyl-2-methyldecanenitrile
CID 65395667
2-cyano-2-methyldecanoic acid
CID 22420429
2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile
CID 173276451

Frequently Asked Questions

What is the IUPAC name of dodecane-5,5,6,6-tetracarbonitrile?
The IUPAC name of dodecane-5,5,6,6-tetracarbonitrile (CID 88846112) is dodecane-5,5,6,6-tetracarbonitrile.
What is the SMILES notation for dodecane-5,5,6,6-tetracarbonitrile?
The canonical SMILES for dodecane-5,5,6,6-tetracarbonitrile is CCCCCC(C#N)(C#N)C(C#N)(C#N)CCCCC.
What is the InChIKey of dodecane-5,5,6,6-tetracarbonitrile?
The InChIKey is FUXQDBRXGCGNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-5-7-9-15(11-17,12-18)16(13-19,14-20)10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of dodecane-5,5,6,6-tetracarbonitrile?
dodecane-5,5,6,6-tetracarbonitrile has a molecular weight of 270.38 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-5,5,6,6-tetracarbonitrile is sourced from PubChem (CID 88846112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).