[cyano(ethoxy)methyl]-ethoxyphosphinic acid

C6H12NO4P — CID 150135175

IUPAC[cyano(ethoxy)methyl]-ethoxyphosphinic acid
SMILESCCOC(C#N)P(=O)(O)OCC
InChIInChI=1S/C6H12NO4P/c1-3-10-6(5-7)12(8,9)11-4-2/h6H,3-4H2,1-2H3,(H,8,9)
InChIKeyFCBXEQHQSZUDSM-UHFFFAOYSA-N
MW193.14 g/mol
LogP1.09
Rot. Bonds5

About [cyano(ethoxy)methyl]-ethoxyphosphinic acid

[cyano(ethoxy)methyl]-ethoxyphosphinic acid (PubChem CID 150135175) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is [cyano(ethoxy)methyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[cyano(ethoxy)methyl]-ethoxyphosphinic acid
PubChem CID150135175
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name[cyano(ethoxy)methyl]-ethoxyphosphinic acid
SMILESCCOC(C#N)P(=O)(O)OCC
InChIInChI=1S/C6H12NO4P/c1-3-10-6(5-7)12(8,9)11-4-2/h6H,3-4H2,1-2H3,(H,8,9)
InChIKeyFCBXEQHQSZUDSM-UHFFFAOYSA-N
XLogP1.09
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[cyano(diethoxyphosphoryl)methyl]phosphonic acid
CID 87504959
[amino(hydroxy)methyl]-ethoxyphosphinic acid
CID 174477551
diethyl hydrogen phosphate;scandium
CID 54607585
1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
CID 88714482
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342
2-diethoxyphosphorylbutanenitrile
CID 13179404
ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid
CID 58140328
diethyl hydrogen phosphate;formonitrile
CID 87389342
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
ethoxy(1-hydroxyprop-2-enyl)phosphinic acid
CID 175532614
butoxy-(4-cyano-4-ethoxybutyl)phosphinic acid
CID 150322262
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565

Frequently Asked Questions

What is the IUPAC name of [cyano(ethoxy)methyl]-ethoxyphosphinic acid?
The IUPAC name of [cyano(ethoxy)methyl]-ethoxyphosphinic acid (CID 150135175) is [cyano(ethoxy)methyl]-ethoxyphosphinic acid.
What is the SMILES notation for [cyano(ethoxy)methyl]-ethoxyphosphinic acid?
The canonical SMILES for [cyano(ethoxy)methyl]-ethoxyphosphinic acid is CCOC(C#N)P(=O)(O)OCC.
What is the InChIKey of [cyano(ethoxy)methyl]-ethoxyphosphinic acid?
The InChIKey is FCBXEQHQSZUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-3-10-6(5-7)12(8,9)11-4-2/h6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of [cyano(ethoxy)methyl]-ethoxyphosphinic acid?
[cyano(ethoxy)methyl]-ethoxyphosphinic acid has a molecular weight of 193.14 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(ethoxy)methyl]-ethoxyphosphinic acid is sourced from PubChem (CID 150135175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).