diethoxymethyl(ethoxy)phosphinous acid

C7H17O4P — CID 16656278

IUPACdiethoxymethyl(ethoxy)phosphinous acid
SMILESCCOC(OCC)P(O)OCC
InChIInChI=1S/C7H17O4P/c1-4-9-7(10-5-2)12(8)11-6-3/h7-8H,4-6H2,1-3H3
InChIKeyQNCSTEXVIFMHAZ-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.68
Rot. Bonds7

About diethoxymethyl(ethoxy)phosphinous acid

diethoxymethyl(ethoxy)phosphinous acid (PubChem CID 16656278) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is diethoxymethyl(ethoxy)phosphinous acid.

Molecular Properties

Compound Namediethoxymethyl(ethoxy)phosphinous acid
PubChem CID16656278
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Namediethoxymethyl(ethoxy)phosphinous acid
SMILESCCOC(OCC)P(O)OCC
InChIInChI=1S/C7H17O4P/c1-4-9-7(10-5-2)12(8)11-6-3/h7-8H,4-6H2,1-3H3
InChIKeyQNCSTEXVIFMHAZ-UHFFFAOYSA-N
XLogP1.68
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethyl hydrogen phosphite
CID 12977
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
phosphorous acid;triethyl phosphite
CID 174300225
diethyl hydrogen phosphite;mercury
CID 54602640
diethoxymethyl dihydrogen phosphite
CID 18623123
(2R,3R)-1,1,3-triethoxy-2-methylbutane
CID 129365387
2,2-diethoxy-1-methoxyethanol
CID 123958282
(2R)-1,1-diethoxy-3-fluoropropan-2-ol
CID 131846513
potassium 2,2-diethoxyacetate
CID 87278402
ethyl dihydrogen phosphite;bis(N-ethylethanamine)
CID 172732787
ethoxy(trifluoromethyl)phosphinous acid
CID 171931307
CID 159597367
CID 159597367

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl(ethoxy)phosphinous acid?
The IUPAC name of diethoxymethyl(ethoxy)phosphinous acid (CID 16656278) is diethoxymethyl(ethoxy)phosphinous acid.
What is the SMILES notation for diethoxymethyl(ethoxy)phosphinous acid?
The canonical SMILES for diethoxymethyl(ethoxy)phosphinous acid is CCOC(OCC)P(O)OCC.
What is the InChIKey of diethoxymethyl(ethoxy)phosphinous acid?
The InChIKey is QNCSTEXVIFMHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-4-9-7(10-5-2)12(8)11-6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of diethoxymethyl(ethoxy)phosphinous acid?
diethoxymethyl(ethoxy)phosphinous acid has a molecular weight of 196.18 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(ethoxy)phosphinous acid is sourced from PubChem (CID 16656278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).