butoxy(2-hydroxyiminoethyl)phosphinic acid

C6H14NO4P — CID 169084667

IUPACbutoxy(2-hydroxyiminoethyl)phosphinic acid
SMILESCCCCOP(=O)(O)CC=NO
InChIInChI=1S/C6H14NO4P/c1-2-3-5-11-12(9,10)6-4-7-8/h4,8H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyLTFIWLXVGOUTOE-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.45
Rot. Bonds6

About butoxy(2-hydroxyiminoethyl)phosphinic acid

butoxy(2-hydroxyiminoethyl)phosphinic acid (PubChem CID 169084667) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is butoxy(2-hydroxyiminoethyl)phosphinic acid.

Molecular Properties

Compound Namebutoxy(2-hydroxyiminoethyl)phosphinic acid
PubChem CID169084667
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Namebutoxy(2-hydroxyiminoethyl)phosphinic acid
SMILESCCCCOP(=O)(O)CC=NO
InChIInChI=1S/C6H14NO4P/c1-2-3-5-11-12(9,10)6-4-7-8/h4,8H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyLTFIWLXVGOUTOE-UHFFFAOYSA-N
XLogP1.45
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butoxy(2-hydroxyiminoethyl)phosphinic acid?
The IUPAC name of butoxy(2-hydroxyiminoethyl)phosphinic acid (CID 169084667) is butoxy(2-hydroxyiminoethyl)phosphinic acid.
What is the SMILES notation for butoxy(2-hydroxyiminoethyl)phosphinic acid?
The canonical SMILES for butoxy(2-hydroxyiminoethyl)phosphinic acid is CCCCOP(=O)(O)CC=NO.
What is the InChIKey of butoxy(2-hydroxyiminoethyl)phosphinic acid?
The InChIKey is LTFIWLXVGOUTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-2-3-5-11-12(9,10)6-4-7-8/h4,8H,2-3,5-6H2,1H3,(H,9,10).
What are the key properties of butoxy(2-hydroxyiminoethyl)phosphinic acid?
butoxy(2-hydroxyiminoethyl)phosphinic acid has a molecular weight of 195.15 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(2-hydroxyiminoethyl)phosphinic acid is sourced from PubChem (CID 169084667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).