diethyl-hexyl-methylazanium;dihydrogen phosphate

C11H28NO4P — CID 173126530

IUPACdiethyl-hexyl-methylazanium;dihydrogen phosphate
SMILESCCCCCC[N+](C)(CC)CC.O=P([O-])(O)O
InChIInChI=1S/C11H26N.H3O4P/c1-5-8-9-10-11-12(4,6-2)7-3;1-5(2,3)4/h5-11H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeyNNXLILTZQKGVIJ-UHFFFAOYSA-M
MW269.32 g/mol
LogP1.49
Rot. Bonds7

About diethyl-hexyl-methylazanium;dihydrogen phosphate

diethyl-hexyl-methylazanium;dihydrogen phosphate (PubChem CID 173126530) has the molecular formula C11H28NO4P and a molecular weight of 269.32 g/mol. Its IUPAC name is diethyl-hexyl-methylazanium;dihydrogen phosphate.

Molecular Properties

Compound Namediethyl-hexyl-methylazanium;dihydrogen phosphate
PubChem CID173126530
Molecular FormulaC11H28NO4P
Molecular Weight269.32 g/mol
Exact Mass269.18
IUPAC Namediethyl-hexyl-methylazanium;dihydrogen phosphate
SMILESCCCCCC[N+](C)(CC)CC.O=P([O-])(O)O
InChIInChI=1S/C11H26N.H3O4P/c1-5-8-9-10-11-12(4,6-2)7-3;1-5(2,3)4/h5-11H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeyNNXLILTZQKGVIJ-UHFFFAOYSA-M
XLogP1.49
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

tris(ethyl-hexyl-methyl-pentylazanium);phosphate
CID 175528872
dihydrogen phosphate;dodecyl-dimethyl-nonylazanium
CID 122481275
dihydrogen phosphate;trimethyl(octadecyl)azanium
CID 90034262
decyl-dimethyl-octylazanium;dihydrogen phosphate
CID 122481601
dodecyl-diethyl-methylazanium
CID 14494908
dihydrogen phosphate;ethyl-dimethyl-pentylazanium
CID 122482074
docosyl-diethyl-methylazanium chloride
CID 87975854
ethyl-methyl-di(undecyl)azanium
CID 156729684
tris(decyl(trimethyl)azanium);phosphate
CID 141403839
dimethyl(dioctadecyl)azanium phosphate
CID 22751703
tris(trimethyl(undecyl)azanium);phosphate
CID 175157194
tris(heptyl-dimethyl-nonylazanium);phosphate
CID 175158605

Frequently Asked Questions

What is the IUPAC name of diethyl-hexyl-methylazanium;dihydrogen phosphate?
The IUPAC name of diethyl-hexyl-methylazanium;dihydrogen phosphate (CID 173126530) is diethyl-hexyl-methylazanium;dihydrogen phosphate.
What is the SMILES notation for diethyl-hexyl-methylazanium;dihydrogen phosphate?
The canonical SMILES for diethyl-hexyl-methylazanium;dihydrogen phosphate is CCCCCC[N+](C)(CC)CC.O=P([O-])(O)O.
What is the InChIKey of diethyl-hexyl-methylazanium;dihydrogen phosphate?
The InChIKey is NNXLILTZQKGVIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26N.H3O4P/c1-5-8-9-10-11-12(4,6-2)7-3;1-5(2,3)4/h5-11H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1.
What are the key properties of diethyl-hexyl-methylazanium;dihydrogen phosphate?
diethyl-hexyl-methylazanium;dihydrogen phosphate has a molecular weight of 269.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexyl-methylazanium;dihydrogen phosphate is sourced from PubChem (CID 173126530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).