phosphenous acid;tetraethylazanium

C8H21NO2P+ — CID 14943914

IUPACphosphenous acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=PO
InChIInChI=1S/C8H20N.HO2P/c1-5-9(6-2,7-3)8-4;1-3-2/h5-8H2,1-4H3;(H,1,2)/q+1;
InChIKeyHMWQSGGMAVWCQS-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.07
Rot. Bonds4

About phosphenous acid;tetraethylazanium

phosphenous acid;tetraethylazanium (PubChem CID 14943914) has the molecular formula C8H21NO2P+ and a molecular weight of 194.23 g/mol. Its IUPAC name is phosphenous acid;tetraethylazanium.

Molecular Properties

Compound Namephosphenous acid;tetraethylazanium
PubChem CID14943914
Molecular FormulaC8H21NO2P+
Molecular Weight194.23 g/mol
Exact Mass194.13
IUPAC Namephosphenous acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=PO
InChIInChI=1S/C8H20N.HO2P/c1-5-9(6-2,7-3)8-4;1-3-2/h5-8H2,1-4H3;(H,1,2)/q+1;
InChIKeyHMWQSGGMAVWCQS-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
phosphenous acid;propane
CID 19090860
methanol;tetraethylazanium;hydroxide
CID 159654840
oxalic acid;tetraethylazanium
CID 24888116
tetraethylazanium hydroxide
CID 6509
iron(2+);tetraethylazanium
CID 159930273
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
azane;butane;phosphenous acid
CID 173067034
tetraethylazanium;urea;hydroxide
CID 175541942
carbamic acid;tetraethylazanium
CID 159284464
tetraethylazanium;fluoride;dihydrate
CID 2776564
hexane;phosphenous acid
CID 21406649

Frequently Asked Questions

What is the IUPAC name of phosphenous acid;tetraethylazanium?
The IUPAC name of phosphenous acid;tetraethylazanium (CID 14943914) is phosphenous acid;tetraethylazanium.
What is the SMILES notation for phosphenous acid;tetraethylazanium?
The canonical SMILES for phosphenous acid;tetraethylazanium is CC[N+](CC)(CC)CC.O=PO.
What is the InChIKey of phosphenous acid;tetraethylazanium?
The InChIKey is HMWQSGGMAVWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.HO2P/c1-5-9(6-2,7-3)8-4;1-3-2/h5-8H2,1-4H3;(H,1,2)/q+1;.
What are the key properties of phosphenous acid;tetraethylazanium?
phosphenous acid;tetraethylazanium has a molecular weight of 194.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphenous acid;tetraethylazanium is sourced from PubChem (CID 14943914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).