ethyl (tributylazaniumyl) phosphate

C14H32NO4P — CID 154360962

IUPACethyl (tributylazaniumyl) phosphate
SMILESCCCC[N+](CCCC)(CCCC)OP(=O)([O-])OCC
InChIInChI=1S/C14H32NO4P/c1-5-9-12-15(13-10-6-2,14-11-7-3)19-20(16,17)18-8-4/h5-14H2,1-4H3
InChIKeyGJQXHCLODHCCCY-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.64
Rot. Bonds13

About ethyl (tributylazaniumyl) phosphate

ethyl (tributylazaniumyl) phosphate (PubChem CID 154360962) has the molecular formula C14H32NO4P and a molecular weight of 309.39 g/mol. Its IUPAC name is ethyl (tributylazaniumyl) phosphate.

Molecular Properties

Compound Nameethyl (tributylazaniumyl) phosphate
PubChem CID154360962
Molecular FormulaC14H32NO4P
Molecular Weight309.39 g/mol
Exact Mass309.21
IUPAC Nameethyl (tributylazaniumyl) phosphate
SMILESCCCC[N+](CCCC)(CCCC)OP(=O)([O-])OCC
InChIInChI=1S/C14H32NO4P/c1-5-9-12-15(13-10-6-2,14-11-7-3)19-20(16,17)18-8-4/h5-14H2,1-4H3
InChIKeyGJQXHCLODHCCCY-UHFFFAOYSA-N
XLogP3.64
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[dimethyl-[(E)-nonadec-10-enyl]azaniumyl] ethyl phosphate
CID 175593725
butylazanium;diethyl phosphate
CID 170458045
disodium bis(diethyl phosphate)
CID 57370561
copper bis(diethyl phosphate)
CID 23448356
ethyl hexyl phosphate
CID 22057005
[dimethyl(octadec-9-enoyl)azaniumyl] ethyl phosphate
CID 173334178
ethyl methyl phosphate;tetrapentylphosphanium
CID 89312416
sodium ethyl methyl phosphate
CID 134607083
aluminum;triethyl phosphate;phosphate
CID 174993171
magnesium dibutyl phosphate
CID 21400580
ethyl hydroxymethyl phosphate
CID 153073426
1-butyl-1-methylpyrrolidin-1-ium;diethyl phosphate
CID 89482927

Frequently Asked Questions

What is the IUPAC name of ethyl (tributylazaniumyl) phosphate?
The IUPAC name of ethyl (tributylazaniumyl) phosphate (CID 154360962) is ethyl (tributylazaniumyl) phosphate.
What is the SMILES notation for ethyl (tributylazaniumyl) phosphate?
The canonical SMILES for ethyl (tributylazaniumyl) phosphate is CCCC[N+](CCCC)(CCCC)OP(=O)([O-])OCC.
What is the InChIKey of ethyl (tributylazaniumyl) phosphate?
The InChIKey is GJQXHCLODHCCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO4P/c1-5-9-12-15(13-10-6-2,14-11-7-3)19-20(16,17)18-8-4/h5-14H2,1-4H3.
What are the key properties of ethyl (tributylazaniumyl) phosphate?
ethyl (tributylazaniumyl) phosphate has a molecular weight of 309.39 g/mol, XLogP of 3.64, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (tributylazaniumyl) phosphate is sourced from PubChem (CID 154360962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).