ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid

C6H13O5P — CID 3613986

IUPACethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
SMILESCCOC(=O)CP(=O)(O)OCC
InChIInChI=1S/C6H13O5P/c1-3-10-6(7)5-12(8,9)11-4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyQGJJOACVGVBTHP-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.77
Rot. Bonds5

About ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid

ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid (PubChem CID 3613986) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
PubChem CID3613986
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Nameethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
SMILESCCOC(=O)CP(=O)(O)OCC
InChIInChI=1S/C6H13O5P/c1-3-10-6(7)5-12(8,9)11-4-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyQGJJOACVGVBTHP-UHFFFAOYSA-N
XLogP0.77
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethyl 2-[ethoxy(formyl)phosphoryl]acetate
CID 59865519
ethyl 2-diethylphosphorylacetate
CID 564639
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
[3,5-bis[[ethoxy(hydroxy)phosphoryl]methyl]-2,4,6-trimethylphenyl]methyl-ethoxyphosphinic acid
CID 58708701
CID 87274277
CID 87274277
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 44606055
(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
CID 87598523
ethoxy(fluoromethyl)phosphinic acid
CID 150160120

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid?
The IUPAC name of ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid (CID 3613986) is ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid.
What is the SMILES notation for ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid?
The canonical SMILES for ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid is CCOC(=O)CP(=O)(O)OCC.
What is the InChIKey of ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid?
The InChIKey is QGJJOACVGVBTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-3-10-6(7)5-12(8,9)11-4-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid?
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid has a molecular weight of 196.14 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid is sourced from PubChem (CID 3613986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).