2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid

C7H16NO4P — CID 169084683

IUPAC2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid
SMILESCC(C)(C)COP(=O)(O)CC=NO
InChIInChI=1S/C7H16NO4P/c1-7(2,3)6-12-13(10,11)5-4-8-9/h4,9H,5-6H2,1-3H3,(H,10,11)
InChIKeyKPPLHMUGZNMJEN-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.69
Rot. Bonds4

About 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid

2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid (PubChem CID 169084683) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid.

Molecular Properties

Compound Name2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid
PubChem CID169084683
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Name2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid
SMILESCC(C)(C)COP(=O)(O)CC=NO
InChIInChI=1S/C7H16NO4P/c1-7(2,3)6-12-13(10,11)5-4-8-9/h4,9H,5-6H2,1-3H3,(H,10,11)
InChIKeyKPPLHMUGZNMJEN-UHFFFAOYSA-N
XLogP1.69
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.69
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 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid?
The IUPAC name of 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid (CID 169084683) is 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid.
What is the SMILES notation for 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid?
The canonical SMILES for 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid is CC(C)(C)COP(=O)(O)CC=NO.
What is the InChIKey of 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid?
The InChIKey is KPPLHMUGZNMJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-7(2,3)6-12-13(10,11)5-4-8-9/h4,9H,5-6H2,1-3H3,(H,10,11).
What are the key properties of 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid?
2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid has a molecular weight of 209.18 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxy(2-hydroxyiminoethyl)phosphinic acid is sourced from PubChem (CID 169084683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).