diethoxyphosphanylphosphonic acid

C4H12O5P2 — CID 159046031

IUPACdiethoxyphosphanylphosphonic acid
SMILESCCOP(OCC)P(=O)(O)O
InChIInChI=1S/C4H12O5P2/c1-3-8-10(9-4-2)11(5,6)7/h3-4H2,1-2H3,(H2,5,6,7)
InChIKeyJWQXKWLEKIOATE-UHFFFAOYSA-N
MW202.08 g/mol
LogP1.46
Rot. Bonds5

About diethoxyphosphanylphosphonic acid

diethoxyphosphanylphosphonic acid (PubChem CID 159046031) has the molecular formula C4H12O5P2 and a molecular weight of 202.08 g/mol. Its IUPAC name is diethoxyphosphanylphosphonic acid.

Molecular Properties

Compound Namediethoxyphosphanylphosphonic acid
PubChem CID159046031
Molecular FormulaC4H12O5P2
Molecular Weight202.08 g/mol
Exact Mass202.02
IUPAC Namediethoxyphosphanylphosphonic acid
SMILESCCOP(OCC)P(=O)(O)O
InChIInChI=1S/C4H12O5P2/c1-3-8-10(9-4-2)11(5,6)7/h3-4H2,1-2H3,(H2,5,6,7)
InChIKeyJWQXKWLEKIOATE-UHFFFAOYSA-N
XLogP1.46
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;diethylphosphinic acid;ethyl phosphite
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copper;diethyl hydrogen phosphate
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diethyl hydrogen phosphate;phosphoric acid
CID 87753541
alumane;ethyl dihydrogen phosphate
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CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
diethyl hydrogen phosphate;scandium
CID 54607585
CID 87495286
CID 87495286
diethyl hydrogen phosphite
CID 12977

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphanylphosphonic acid?
The IUPAC name of diethoxyphosphanylphosphonic acid (CID 159046031) is diethoxyphosphanylphosphonic acid.
What is the SMILES notation for diethoxyphosphanylphosphonic acid?
The canonical SMILES for diethoxyphosphanylphosphonic acid is CCOP(OCC)P(=O)(O)O.
What is the InChIKey of diethoxyphosphanylphosphonic acid?
The InChIKey is JWQXKWLEKIOATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O5P2/c1-3-8-10(9-4-2)11(5,6)7/h3-4H2,1-2H3,(H2,5,6,7).
What are the key properties of diethoxyphosphanylphosphonic acid?
diethoxyphosphanylphosphonic acid has a molecular weight of 202.08 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphanylphosphonic acid is sourced from PubChem (CID 159046031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).