ethoxy(2-hydroxyiminoethyl)phosphinic acid

C4H10NO4P — CID 169084760

IUPACethoxy(2-hydroxyiminoethyl)phosphinic acid
SMILESCCOP(=O)(O)CC=NO
InChIInChI=1S/C4H10NO4P/c1-2-9-10(7,8)4-3-5-6/h3,6H,2,4H2,1H3,(H,7,8)
InChIKeyHDFFXWRIGKOEEB-UHFFFAOYSA-N
MW167.10 g/mol
LogP0.67
Rot. Bonds4

About ethoxy(2-hydroxyiminoethyl)phosphinic acid

ethoxy(2-hydroxyiminoethyl)phosphinic acid (PubChem CID 169084760) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is ethoxy(2-hydroxyiminoethyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(2-hydroxyiminoethyl)phosphinic acid
PubChem CID169084760
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Nameethoxy(2-hydroxyiminoethyl)phosphinic acid
SMILESCCOP(=O)(O)CC=NO
InChIInChI=1S/C4H10NO4P/c1-2-9-10(7,8)4-3-5-6/h3,6H,2,4H2,1H3,(H,7,8)
InChIKeyHDFFXWRIGKOEEB-UHFFFAOYSA-N
XLogP0.67
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy(2-hydroxyiminoethyl)phosphinic acid?
The IUPAC name of ethoxy(2-hydroxyiminoethyl)phosphinic acid (CID 169084760) is ethoxy(2-hydroxyiminoethyl)phosphinic acid.
What is the SMILES notation for ethoxy(2-hydroxyiminoethyl)phosphinic acid?
The canonical SMILES for ethoxy(2-hydroxyiminoethyl)phosphinic acid is CCOP(=O)(O)CC=NO.
What is the InChIKey of ethoxy(2-hydroxyiminoethyl)phosphinic acid?
The InChIKey is HDFFXWRIGKOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4P/c1-2-9-10(7,8)4-3-5-6/h3,6H,2,4H2,1H3,(H,7,8).
What are the key properties of ethoxy(2-hydroxyiminoethyl)phosphinic acid?
ethoxy(2-hydroxyiminoethyl)phosphinic acid has a molecular weight of 167.10 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(2-hydroxyiminoethyl)phosphinic acid is sourced from PubChem (CID 169084760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).