dihydrogen phosphate;ethyl-dimethyl-pentylazanium

C9H24NO4P — CID 122482074

IUPACdihydrogen phosphate;ethyl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)CC.O=P([O-])(O)O
InChIInChI=1S/C9H22N.H3O4P/c1-5-7-8-9-10(3,4)6-2;1-5(2,3)4/h5-9H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeySUPLORVDZBIFOM-UHFFFAOYSA-M
MW241.27 g/mol
LogP0.71
Rot. Bonds5

About dihydrogen phosphate;ethyl-dimethyl-pentylazanium

dihydrogen phosphate;ethyl-dimethyl-pentylazanium (PubChem CID 122482074) has the molecular formula C9H24NO4P and a molecular weight of 241.27 g/mol. Its IUPAC name is dihydrogen phosphate;ethyl-dimethyl-pentylazanium.

Molecular Properties

Compound Namedihydrogen phosphate;ethyl-dimethyl-pentylazanium
PubChem CID122482074
Molecular FormulaC9H24NO4P
Molecular Weight241.27 g/mol
Exact Mass241.14
IUPAC Namedihydrogen phosphate;ethyl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)CC.O=P([O-])(O)O
InChIInChI=1S/C9H22N.H3O4P/c1-5-7-8-9-10(3,4)6-2;1-5(2,3)4/h5-9H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeySUPLORVDZBIFOM-UHFFFAOYSA-M
XLogP0.71
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.71
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

dihydrogen phosphate;dodecyl-dimethyl-nonylazanium
CID 122481275
decyl-dimethyl-octylazanium;dihydrogen phosphate
CID 122481601
dimethyl(dioctadecyl)azanium phosphate
CID 22751703
tris(heptyl-dimethyl-nonylazanium);phosphate
CID 175158605
diethyl-hexyl-methylazanium;dihydrogen phosphate
CID 173126530
dihydrogen phosphate;trimethyl(octadecyl)azanium
CID 90034262
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
ethyl-dimethyl-octadecylazanium nitrate
CID 172736474
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
dodecyl-ethyl-dimethylazanium;methanesulfonic acid
CID 87724332
dimethyl(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
tris(ethyl-hexyl-methyl-pentylazanium);phosphate
CID 175528872

Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate;ethyl-dimethyl-pentylazanium?
The IUPAC name of dihydrogen phosphate;ethyl-dimethyl-pentylazanium (CID 122482074) is dihydrogen phosphate;ethyl-dimethyl-pentylazanium.
What is the SMILES notation for dihydrogen phosphate;ethyl-dimethyl-pentylazanium?
The canonical SMILES for dihydrogen phosphate;ethyl-dimethyl-pentylazanium is CCCCC[N+](C)(C)CC.O=P([O-])(O)O.
What is the InChIKey of dihydrogen phosphate;ethyl-dimethyl-pentylazanium?
The InChIKey is SUPLORVDZBIFOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N.H3O4P/c1-5-7-8-9-10(3,4)6-2;1-5(2,3)4/h5-9H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1.
What are the key properties of dihydrogen phosphate;ethyl-dimethyl-pentylazanium?
dihydrogen phosphate;ethyl-dimethyl-pentylazanium has a molecular weight of 241.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate;ethyl-dimethyl-pentylazanium is sourced from PubChem (CID 122482074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).