tetraethylphosphanium cyanide

C9H20NP — CID 19799693

IUPACtetraethylphosphanium cyanide
SMILESCC[P+](CC)(CC)CC.[C-]#N
InChIInChI=1S/C8H20P.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1
InChIKeyDGVCADUVSKQUBL-UHFFFAOYSA-N
MW173.24 g/mol
LogP3.18
Rot. Bonds4

About tetraethylphosphanium cyanide

tetraethylphosphanium cyanide (PubChem CID 19799693) has the molecular formula C9H20NP and a molecular weight of 173.24 g/mol. Its IUPAC name is tetraethylphosphanium cyanide.

Molecular Properties

Compound Nametetraethylphosphanium cyanide
PubChem CID19799693
Molecular FormulaC9H20NP
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Nametetraethylphosphanium cyanide
SMILESCC[P+](CC)(CC)CC.[C-]#N
InChIInChI=1S/C8H20P.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1
InChIKeyDGVCADUVSKQUBL-UHFFFAOYSA-N
XLogP3.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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tetraethylphosphanium;tetramethylphosphanium;tetrapropylphosphanium;tribromide
CID 173320390
ethyl-[2-[ethyl(dipropyl)phosphaniumyl]ethyl]-dipropylphosphanium
CID 58445068
2-cyanoethyl(triethyl)phosphanium
CID 4524375
hexane dicyanide
CID 159336841
butane-2-tellurol
CID 173009567
fluoroethane;uranium;cyanide
CID 157275316
sodium;ethanamine;cyanide
CID 23663358

Frequently Asked Questions

What is the IUPAC name of tetraethylphosphanium cyanide?
The IUPAC name of tetraethylphosphanium cyanide (CID 19799693) is tetraethylphosphanium cyanide.
What is the SMILES notation for tetraethylphosphanium cyanide?
The canonical SMILES for tetraethylphosphanium cyanide is CC[P+](CC)(CC)CC.[C-]#N.
What is the InChIKey of tetraethylphosphanium cyanide?
The InChIKey is DGVCADUVSKQUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20P.CN/c1-5-9(6-2,7-3)8-4;1-2/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of tetraethylphosphanium cyanide?
tetraethylphosphanium cyanide has a molecular weight of 173.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylphosphanium cyanide is sourced from PubChem (CID 19799693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).