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

C5H11O5P — CID 86208858

IUPACethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
SMILESCCOP(=O)(O)CC(=O)OC
InChIInChI=1S/C5H11O5P/c1-3-10-11(7,8)4-5(6)9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyLFPDEJOUPFFVDO-UHFFFAOYSA-N
MW182.11 g/mol
LogP0.38
Rot. Bonds4

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

ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid (PubChem CID 86208858) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
PubChem CID86208858
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Nameethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
SMILESCCOP(=O)(O)CC(=O)OC
InChIInChI=1S/C5H11O5P/c1-3-10-11(7,8)4-5(6)9-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyLFPDEJOUPFFVDO-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
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-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 15715183
methyl 2-[butoxy-(2-methoxy-2-oxoethyl)phosphoryl]acetate
CID 2304620
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
acetamidomethyl(ethoxy)phosphinic acid
CID 14132628
(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
CID 87598523
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
(4-acetyloxyphenyl)methoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 10086206
methyl 2-diethoxyphosphorylsulfanylacetate
CID 121232781
2,3,4-tris[ethoxy(hydroxy)phosphoryl]but-2-enoic acid
CID 54348008
methyl 3,3-bis(diethoxyphosphoryl)butanoate
CID 10571418
methyl 3-diethoxyphosphorylbutanoate
CID 14418068

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
The IUPAC name of ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid (CID 86208858) is ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid.
What is the SMILES notation for ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
The canonical SMILES for ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid is CCOP(=O)(O)CC(=O)OC.
What is the InChIKey of ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
The InChIKey is LFPDEJOUPFFVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c1-3-10-11(7,8)4-5(6)9-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid?
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid has a molecular weight of 182.11 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid is sourced from PubChem (CID 86208858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).