dihydrogen phosphate;triethyl(prop-2-enyl)azanium

C9H22NO4P — CID 173387708

IUPACdihydrogen phosphate;triethyl(prop-2-enyl)azanium
SMILESC=CC[N+](CC)(CC)CC.O=P([O-])(O)O
InChIInChI=1S/C9H20N.H3O4P/c1-5-9-10(6-2,7-3)8-4;1-5(2,3)4/h5H,1,6-9H2,2-4H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeyFXERHRIWMOQVBG-UHFFFAOYSA-M
MW239.25 g/mol
LogP0.49
Rot. Bonds5

About dihydrogen phosphate;triethyl(prop-2-enyl)azanium

dihydrogen phosphate;triethyl(prop-2-enyl)azanium (PubChem CID 173387708) has the molecular formula C9H22NO4P and a molecular weight of 239.25 g/mol. Its IUPAC name is dihydrogen phosphate;triethyl(prop-2-enyl)azanium.

Molecular Properties

Compound Namedihydrogen phosphate;triethyl(prop-2-enyl)azanium
PubChem CID173387708
Molecular FormulaC9H22NO4P
Molecular Weight239.25 g/mol
Exact Mass239.13
IUPAC Namedihydrogen phosphate;triethyl(prop-2-enyl)azanium
SMILESC=CC[N+](CC)(CC)CC.O=P([O-])(O)O
InChIInChI=1S/C9H20N.H3O4P/c1-5-9-10(6-2,7-3)8-4;1-5(2,3)4/h5H,1,6-9H2,2-4H3;(H3,1,2,3,4)/q+1;/p-1
InChIKeyFXERHRIWMOQVBG-UHFFFAOYSA-M
XLogP0.49
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

but-3-enoate;triethyl(prop-2-enyl)azanium
CID 174488923
prop-1-ene;triethyl(prop-2-enyl)azanium;bromide
CID 175521328
triethyl(prop-2-enyl)azanium hexafluorophosphate
CID 175350954
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
CID 87909379
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
zinc;hydrogen phosphate;1-(propyldisulfanyl)propane
CID 174694576
potassium;dihydrogen phosphate;ethanol
CID 160928957
oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium
CID 174712205
bis(2-oxopropyl)-bis(prop-2-enyl)azanium
CID 139964451
ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)
CID 141082200

Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate;triethyl(prop-2-enyl)azanium?
The IUPAC name of dihydrogen phosphate;triethyl(prop-2-enyl)azanium (CID 173387708) is dihydrogen phosphate;triethyl(prop-2-enyl)azanium.
What is the SMILES notation for dihydrogen phosphate;triethyl(prop-2-enyl)azanium?
The canonical SMILES for dihydrogen phosphate;triethyl(prop-2-enyl)azanium is C=CC[N+](CC)(CC)CC.O=P([O-])(O)O.
What is the InChIKey of dihydrogen phosphate;triethyl(prop-2-enyl)azanium?
The InChIKey is FXERHRIWMOQVBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.H3O4P/c1-5-9-10(6-2,7-3)8-4;1-5(2,3)4/h5H,1,6-9H2,2-4H3;(H3,1,2,3,4)/q+1;/p-1.
What are the key properties of dihydrogen phosphate;triethyl(prop-2-enyl)azanium?
dihydrogen phosphate;triethyl(prop-2-enyl)azanium has a molecular weight of 239.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate;triethyl(prop-2-enyl)azanium is sourced from PubChem (CID 173387708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).