tris(1-ethyl-3-methylimidazol-3-ium);phosphite

C18H33N6O3P — CID 140574396

IUPACtris(1-ethyl-3-methylimidazol-3-ium);phosphite
SMILESCCn1cc[n+](C)c1.CCn1cc[n+](C)c1.CCn1cc[n+](C)c1.[O-]P([O-])[O-]
InChIInChI=1S/3C6H11N2.O3P/c3*1-3-8-5-4-7(2)6-8;1-4(2)3/h3*4-6H,3H2,1-2H3;/q3*+1;-3
InChIKeyFUDIRVVBIVCGPC-UHFFFAOYSA-N
MW412.48 g/mol
LogP-1.71
Rot. Bonds3

About tris(1-ethyl-3-methylimidazol-3-ium);phosphite

tris(1-ethyl-3-methylimidazol-3-ium);phosphite (PubChem CID 140574396) has the molecular formula C18H33N6O3P and a molecular weight of 412.48 g/mol. Its IUPAC name is tris(1-ethyl-3-methylimidazol-3-ium);phosphite.

Molecular Properties

Compound Nametris(1-ethyl-3-methylimidazol-3-ium);phosphite
PubChem CID140574396
Molecular FormulaC18H33N6O3P
Molecular Weight412.48 g/mol
Exact Mass412.24
IUPAC Nametris(1-ethyl-3-methylimidazol-3-ium);phosphite
SMILESCCn1cc[n+](C)c1.CCn1cc[n+](C)c1.CCn1cc[n+](C)c1.[O-]P([O-])[O-]
InChIInChI=1S/3C6H11N2.O3P/c3*1-3-8-5-4-7(2)6-8;1-4(2)3/h3*4-6H,3H2,1-2H3;/q3*+1;-3
InChIKeyFUDIRVVBIVCGPC-UHFFFAOYSA-N
XLogP-1.71
TPSA95.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
CID 87529717
CID 87529717
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
azane;1-ethyl-3-methylimidazol-3-ium;oxalonitrile
CID 175296554
1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate;sulfur monoxide
CID 160555580
dicyanoboranuide;1-ethyl-3-methylimidazol-3-ium
CID 173491123
1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
CID 173195338
1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium
CID 87754387
CID 87293185
CID 87293185

Frequently Asked Questions

What is the IUPAC name of tris(1-ethyl-3-methylimidazol-3-ium);phosphite?
The IUPAC name of tris(1-ethyl-3-methylimidazol-3-ium);phosphite (CID 140574396) is tris(1-ethyl-3-methylimidazol-3-ium);phosphite.
What is the SMILES notation for tris(1-ethyl-3-methylimidazol-3-ium);phosphite?
The canonical SMILES for tris(1-ethyl-3-methylimidazol-3-ium);phosphite is CCn1cc[n+](C)c1.CCn1cc[n+](C)c1.CCn1cc[n+](C)c1.[O-]P([O-])[O-].
What is the InChIKey of tris(1-ethyl-3-methylimidazol-3-ium);phosphite?
The InChIKey is FUDIRVVBIVCGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H11N2.O3P/c3*1-3-8-5-4-7(2)6-8;1-4(2)3/h3*4-6H,3H2,1-2H3;/q3*+1;-3.
What are the key properties of tris(1-ethyl-3-methylimidazol-3-ium);phosphite?
tris(1-ethyl-3-methylimidazol-3-ium);phosphite has a molecular weight of 412.48 g/mol, XLogP of -1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-ethyl-3-methylimidazol-3-ium);phosphite is sourced from PubChem (CID 140574396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).