decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium

C18H39NO3P+ — CID 174475382

IUPACdecyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium
SMILESC=CO[P+](=O)[O-].CCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C16H36N.C2H3O3P/c1-5-9-10-11-12-13-14-15-16-17(6-2,7-3)8-4;1-2-5-6(3)4/h5-16H2,1-4H3;2H,1H2/q+1;
InChIKeyNROKFQNUDRUCQE-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.17
Rot. Bonds14

About decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium

decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium (PubChem CID 174475382) has the molecular formula C18H39NO3P+ and a molecular weight of 348.49 g/mol. Its IUPAC name is decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium.

Molecular Properties

Compound Namedecyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium
PubChem CID174475382
Molecular FormulaC18H39NO3P+
Molecular Weight348.49 g/mol
Exact Mass348.27
IUPAC Namedecyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium
SMILESC=CO[P+](=O)[O-].CCCCCCCCCC[N+](CC)(CC)CC
InChIInChI=1S/C16H36N.C2H3O3P/c1-5-9-10-11-12-13-14-15-16-17(6-2,7-3)8-4;1-2-5-6(3)4/h5-16H2,1-4H3;2H,1H2/q+1;
InChIKeyNROKFQNUDRUCQE-UHFFFAOYSA-N
XLogP5.17
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)
CID 141082200
triethyl(tetradecyl)azanium
CID 28911
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(tridecyl)azanium bromide
CID 14647396
triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(icosyl)azanium chloride
CID 141198165
docosyl(triethyl)azanium bromide
CID 71358281
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(octyl)azanium hydroxide
CID 23496315
bis(triethyl(hexadecyl)azanium);sulfate
CID 139922163

Frequently Asked Questions

What is the IUPAC name of decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium?
The IUPAC name of decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium (CID 174475382) is decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium.
What is the SMILES notation for decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium?
The canonical SMILES for decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium is C=CO[P+](=O)[O-].CCCCCCCCCC[N+](CC)(CC)CC.
What is the InChIKey of decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium?
The InChIKey is NROKFQNUDRUCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.C2H3O3P/c1-5-9-10-11-12-13-14-15-16-17(6-2,7-3)8-4;1-2-5-6(3)4/h5-16H2,1-4H3;2H,1H2/q+1;.
What are the key properties of decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium?
decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium has a molecular weight of 348.49 g/mol, XLogP of 5.17, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium is sourced from PubChem (CID 174475382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).