dihydroxy(oxo)phosphanium;tetraethylazanium

C8H22NO3P+2 — CID 175533770

IUPACdihydroxy(oxo)phosphanium;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=[P+](O)O
InChIInChI=1S/C8H20N.HO3P/c1-5-9(6-2,7-3)8-4;1-4(2)3/h5-8H2,1-4H3;(H-,1,2,3)/q+1;/p+1
InChIKeyQIBLESXIKNBFJB-UHFFFAOYSA-O
MW211.24 g/mol
LogP1.51
Rot. Bonds4

About dihydroxy(oxo)phosphanium;tetraethylazanium

dihydroxy(oxo)phosphanium;tetraethylazanium (PubChem CID 175533770) has the molecular formula C8H22NO3P+2 and a molecular weight of 211.24 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;tetraethylazanium.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;tetraethylazanium
PubChem CID175533770
Molecular FormulaC8H22NO3P+2
Molecular Weight211.24 g/mol
Exact Mass211.13
IUPAC Namedihydroxy(oxo)phosphanium;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=[P+](O)O
InChIInChI=1S/C8H20N.HO3P/c1-5-9(6-2,7-3)8-4;1-4(2)3/h5-8H2,1-4H3;(H-,1,2,3)/q+1;/p+1
InChIKeyQIBLESXIKNBFJB-UHFFFAOYSA-O
XLogP1.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phosphenous acid;tetraethylazanium
CID 14943914
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
methanol;tetraethylazanium;hydroxide
CID 159654840
oxalic acid;tetraethylazanium
CID 24888116
tetraethylazanium hydroxide
CID 6509
iron(2+);tetraethylazanium
CID 159930273
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
tetraethylazanium;urea;hydroxide
CID 175541942
carbamic acid;tetraethylazanium
CID 159284464
tetraethylazanium;fluoride;dihydrate
CID 2776564
dihydroxy(oxo)phosphanium;pentan-1-amine;sulfane
CID 174724502
acetaldehyde;tetraethylazanium
CID 57468225

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;tetraethylazanium?
The IUPAC name of dihydroxy(oxo)phosphanium;tetraethylazanium (CID 175533770) is dihydroxy(oxo)phosphanium;tetraethylazanium.
What is the SMILES notation for dihydroxy(oxo)phosphanium;tetraethylazanium?
The canonical SMILES for dihydroxy(oxo)phosphanium;tetraethylazanium is CC[N+](CC)(CC)CC.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;tetraethylazanium?
The InChIKey is QIBLESXIKNBFJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H20N.HO3P/c1-5-9(6-2,7-3)8-4;1-4(2)3/h5-8H2,1-4H3;(H-,1,2,3)/q+1;/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;tetraethylazanium?
dihydroxy(oxo)phosphanium;tetraethylazanium has a molecular weight of 211.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;tetraethylazanium is sourced from PubChem (CID 175533770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).