[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid

C4H12O4P2 — CID 20667852

IUPAC[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid
SMILESCOP(C)(=O)CP(C)(=O)O
InChIInChI=1S/C4H12O4P2/c1-8-10(3,7)4-9(2,5)6/h4H2,1-3H3,(H,5,6)
InChIKeyNTSYHNHPAPQLOQ-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.40
Rot. Bonds3

About [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid

[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid (PubChem CID 20667852) has the molecular formula C4H12O4P2 and a molecular weight of 186.08 g/mol. Its IUPAC name is [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid
PubChem CID20667852
Molecular FormulaC4H12O4P2
Molecular Weight186.08 g/mol
Exact Mass186.02
IUPAC Name[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid
SMILESCOP(C)(=O)CP(C)(=O)O
InChIInChI=1S/C4H12O4P2/c1-8-10(3,7)4-9(2,5)6/h4H2,1-3H3,(H,5,6)
InChIKeyNTSYHNHPAPQLOQ-UHFFFAOYSA-N
XLogP1.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
tris(dimethyl hydrogen phosphate);titanium
CID 131876605
dimethyl hydrogen phosphate;methane
CID 88807117
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
azane;dimethyl hydrogen phosphate;ethanol
CID 174156402
3-[methoxy(methyl)phosphoryl]propanoic acid
CID 87778211
carbanylium;methyl dihydrogen phosphate
CID 165007935
sodium;carbanide;methylphosphonic acid
CID 157106296
fluoro methyl hydrogen phosphate
CID 87128109

Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid?
The IUPAC name of [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid (CID 20667852) is [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid.
What is the SMILES notation for [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid?
The canonical SMILES for [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid is COP(C)(=O)CP(C)(=O)O.
What is the InChIKey of [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid?
The InChIKey is NTSYHNHPAPQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O4P2/c1-8-10(3,7)4-9(2,5)6/h4H2,1-3H3,(H,5,6).
What are the key properties of [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid?
[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid has a molecular weight of 186.08 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(methyl)phosphoryl]methyl-methylphosphinic acid is sourced from PubChem (CID 20667852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).