butanoyl(methoxy)phosphinic acid

C5H11O4P — CID 56614372

IUPACbutanoyl(methoxy)phosphinic acid
SMILESCCCC(=O)P(=O)(O)OC
InChIInChI=1S/C5H11O4P/c1-3-4-5(6)10(7,8)9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyBYDFQLKJOXPSTM-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.14
Rot. Bonds4

About butanoyl(methoxy)phosphinic acid

butanoyl(methoxy)phosphinic acid (PubChem CID 56614372) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is butanoyl(methoxy)phosphinic acid.

Molecular Properties

Compound Namebutanoyl(methoxy)phosphinic acid
PubChem CID56614372
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namebutanoyl(methoxy)phosphinic acid
SMILESCCCC(=O)P(=O)(O)OC
InChIInChI=1S/C5H11O4P/c1-3-4-5(6)10(7,8)9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyBYDFQLKJOXPSTM-UHFFFAOYSA-N
XLogP1.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butanoyl(methoxy)phosphinic acid?
The IUPAC name of butanoyl(methoxy)phosphinic acid (CID 56614372) is butanoyl(methoxy)phosphinic acid.
What is the SMILES notation for butanoyl(methoxy)phosphinic acid?
The canonical SMILES for butanoyl(methoxy)phosphinic acid is CCCC(=O)P(=O)(O)OC.
What is the InChIKey of butanoyl(methoxy)phosphinic acid?
The InChIKey is BYDFQLKJOXPSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-3-4-5(6)10(7,8)9-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of butanoyl(methoxy)phosphinic acid?
butanoyl(methoxy)phosphinic acid has a molecular weight of 166.11 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyl(methoxy)phosphinic acid is sourced from PubChem (CID 56614372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).