2-cyanoethoxy(methyl)phosphinous acid

C4H8NO2P — CID 20665247

IUPAC2-cyanoethoxy(methyl)phosphinous acid
SMILESCP(O)OCCC#N
InChIInChI=1S/C4H8NO2P/c1-8(6)7-4-2-3-5/h6H,2,4H2,1H3
InChIKeyQEADESFZFCTDGA-UHFFFAOYSA-N
MW133.09 g/mol
LogP0.85
Rot. Bonds3

About 2-cyanoethoxy(methyl)phosphinous acid

2-cyanoethoxy(methyl)phosphinous acid (PubChem CID 20665247) has the molecular formula C4H8NO2P and a molecular weight of 133.09 g/mol. Its IUPAC name is 2-cyanoethoxy(methyl)phosphinous acid.

Molecular Properties

Compound Name2-cyanoethoxy(methyl)phosphinous acid
PubChem CID20665247
Molecular FormulaC4H8NO2P
Molecular Weight133.09 g/mol
Exact Mass133.03
IUPAC Name2-cyanoethoxy(methyl)phosphinous acid
SMILESCP(O)OCCC#N
InChIInChI=1S/C4H8NO2P/c1-8(6)7-4-2-3-5/h6H,2,4H2,1H3
InChIKeyQEADESFZFCTDGA-UHFFFAOYSA-N
XLogP0.85
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.09
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy(methyl)phosphinous acid?
The IUPAC name of 2-cyanoethoxy(methyl)phosphinous acid (CID 20665247) is 2-cyanoethoxy(methyl)phosphinous acid.
What is the SMILES notation for 2-cyanoethoxy(methyl)phosphinous acid?
The canonical SMILES for 2-cyanoethoxy(methyl)phosphinous acid is CP(O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy(methyl)phosphinous acid?
The InChIKey is QEADESFZFCTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2P/c1-8(6)7-4-2-3-5/h6H,2,4H2,1H3.
What are the key properties of 2-cyanoethoxy(methyl)phosphinous acid?
2-cyanoethoxy(methyl)phosphinous acid has a molecular weight of 133.09 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy(methyl)phosphinous acid is sourced from PubChem (CID 20665247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).