butoxy(3-hydroxyiminopropyl)phosphinic acid

C7H16NO4P — CID 169084741

IUPACbutoxy(3-hydroxyiminopropyl)phosphinic acid
SMILESCCCCOP(=O)(O)CCC=NO
InChIInChI=1S/C7H16NO4P/c1-2-3-6-12-13(10,11)7-4-5-8-9/h5,9H,2-4,6-7H2,1H3,(H,10,11)
InChIKeyUAUKGISKZPYUBX-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.84
Rot. Bonds7

About butoxy(3-hydroxyiminopropyl)phosphinic acid

butoxy(3-hydroxyiminopropyl)phosphinic acid (PubChem CID 169084741) has the molecular formula C7H16NO4P and a molecular weight of 209.18 g/mol. Its IUPAC name is butoxy(3-hydroxyiminopropyl)phosphinic acid.

Molecular Properties

Compound Namebutoxy(3-hydroxyiminopropyl)phosphinic acid
PubChem CID169084741
Molecular FormulaC7H16NO4P
Molecular Weight209.18 g/mol
Exact Mass209.08
IUPAC Namebutoxy(3-hydroxyiminopropyl)phosphinic acid
SMILESCCCCOP(=O)(O)CCC=NO
InChIInChI=1S/C7H16NO4P/c1-2-3-6-12-13(10,11)7-4-5-8-9/h5,9H,2-4,6-7H2,1H3,(H,10,11)
InChIKeyUAUKGISKZPYUBX-UHFFFAOYSA-N
XLogP1.84
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.84
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(3-hydroxyiminopropyl)phosphinic acid?
The IUPAC name of butoxy(3-hydroxyiminopropyl)phosphinic acid (CID 169084741) is butoxy(3-hydroxyiminopropyl)phosphinic acid.
What is the SMILES notation for butoxy(3-hydroxyiminopropyl)phosphinic acid?
The canonical SMILES for butoxy(3-hydroxyiminopropyl)phosphinic acid is CCCCOP(=O)(O)CCC=NO.
What is the InChIKey of butoxy(3-hydroxyiminopropyl)phosphinic acid?
The InChIKey is UAUKGISKZPYUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4P/c1-2-3-6-12-13(10,11)7-4-5-8-9/h5,9H,2-4,6-7H2,1H3,(H,10,11).
What are the key properties of butoxy(3-hydroxyiminopropyl)phosphinic acid?
butoxy(3-hydroxyiminopropyl)phosphinic acid has a molecular weight of 209.18 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(3-hydroxyiminopropyl)phosphinic acid is sourced from PubChem (CID 169084741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).