sodium;ethoxy-methyl-oxophosphanium;hydride

C3H9NaO2P+ — CID 175193862

IUPACsodium;ethoxy-methyl-oxophosphanium;hydride
SMILESCCO[P+](C)=O.[H-].[Na+]
InChIInChI=1S/C3H8O2P.Na.H/c1-3-5-6(2)4;;/h3H2,1-2H3;;/q2*+1;-1
InChIKeyBTHFVUQLKPMCLA-UHFFFAOYSA-N
MW131.07 g/mol
LogP-1.49
Rot. Bonds2

About sodium;ethoxy-methyl-oxophosphanium;hydride

sodium;ethoxy-methyl-oxophosphanium;hydride (PubChem CID 175193862) has the molecular formula C3H9NaO2P+ and a molecular weight of 131.07 g/mol. Its IUPAC name is sodium;ethoxy-methyl-oxophosphanium;hydride.

Molecular Properties

Compound Namesodium;ethoxy-methyl-oxophosphanium;hydride
PubChem CID175193862
Molecular FormulaC3H9NaO2P+
Molecular Weight131.07 g/mol
Exact Mass131.02
IUPAC Namesodium;ethoxy-methyl-oxophosphanium;hydride
SMILESCCO[P+](C)=O.[H-].[Na+]
InChIInChI=1S/C3H8O2P.Na.H/c1-3-5-6(2)4;;/h3H2,1-2H3;;/q2*+1;-1
InChIKeyBTHFVUQLKPMCLA-UHFFFAOYSA-N
XLogP-1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.07
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-methyl-oxophosphanium;methane;methylphosphonic acid
CID 157055742
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191
CID 157268042
CID 157268042
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
acetyl-ethoxy-oxophosphanium
CID 87455010
magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
methyl-[6-[methyl(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 23393003
ethoxy-oxo-(2-oxopropyl)phosphanium
CID 90454879

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxy-methyl-oxophosphanium;hydride?
The IUPAC name of sodium;ethoxy-methyl-oxophosphanium;hydride (CID 175193862) is sodium;ethoxy-methyl-oxophosphanium;hydride.
What is the SMILES notation for sodium;ethoxy-methyl-oxophosphanium;hydride?
The canonical SMILES for sodium;ethoxy-methyl-oxophosphanium;hydride is CCO[P+](C)=O.[H-].[Na+].
What is the InChIKey of sodium;ethoxy-methyl-oxophosphanium;hydride?
The InChIKey is BTHFVUQLKPMCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2P.Na.H/c1-3-5-6(2)4;;/h3H2,1-2H3;;/q2*+1;-1.
What are the key properties of sodium;ethoxy-methyl-oxophosphanium;hydride?
sodium;ethoxy-methyl-oxophosphanium;hydride has a molecular weight of 131.07 g/mol, XLogP of -1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxy-methyl-oxophosphanium;hydride is sourced from PubChem (CID 175193862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).