ethoxy(ethoxycarbonyl)phosphinic acid

C5H11O5P — CID 511879

IUPACethoxy(ethoxycarbonyl)phosphinic acid
SMILESCCOC(=O)P(=O)(O)OCC
InChIInChI=1S/C5H11O5P/c1-3-9-5(6)11(7,8)10-4-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyGBHHYGCUMKFRMT-UHFFFAOYSA-N
MW182.11 g/mol
LogP1.36
Rot. Bonds4

About ethoxy(ethoxycarbonyl)phosphinic acid

ethoxy(ethoxycarbonyl)phosphinic acid (PubChem CID 511879) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is ethoxy(ethoxycarbonyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(ethoxycarbonyl)phosphinic acid
PubChem CID511879
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Nameethoxy(ethoxycarbonyl)phosphinic acid
SMILESCCOC(=O)P(=O)(O)OCC
InChIInChI=1S/C5H11O5P/c1-3-9-5(6)11(7,8)10-4-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyGBHHYGCUMKFRMT-UHFFFAOYSA-N
XLogP1.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy(ethoxycarbonyl)phosphinic acid?
The IUPAC name of ethoxy(ethoxycarbonyl)phosphinic acid (CID 511879) is ethoxy(ethoxycarbonyl)phosphinic acid.
What is the SMILES notation for ethoxy(ethoxycarbonyl)phosphinic acid?
The canonical SMILES for ethoxy(ethoxycarbonyl)phosphinic acid is CCOC(=O)P(=O)(O)OCC.
What is the InChIKey of ethoxy(ethoxycarbonyl)phosphinic acid?
The InChIKey is GBHHYGCUMKFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c1-3-9-5(6)11(7,8)10-4-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of ethoxy(ethoxycarbonyl)phosphinic acid?
ethoxy(ethoxycarbonyl)phosphinic acid has a molecular weight of 182.11 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(ethoxycarbonyl)phosphinic acid is sourced from PubChem (CID 511879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).