2-methoxypropan-2-yloxy(methyl)phosphinic acid

C5H13O4P — CID 23387602

IUPAC2-methoxypropan-2-yloxy(methyl)phosphinic acid
SMILESCOC(C)(C)OP(C)(=O)O
InChIInChI=1S/C5H13O4P/c1-5(2,8-3)9-10(4,6)7/h1-4H3,(H,6,7)
InChIKeyXPLODPPOBUXEFO-UHFFFAOYSA-N
MW168.13 g/mol
LogP1.20
Rot. Bonds3

About 2-methoxypropan-2-yloxy(methyl)phosphinic acid

2-methoxypropan-2-yloxy(methyl)phosphinic acid (PubChem CID 23387602) has the molecular formula C5H13O4P and a molecular weight of 168.13 g/mol. Its IUPAC name is 2-methoxypropan-2-yloxy(methyl)phosphinic acid.

Molecular Properties

Compound Name2-methoxypropan-2-yloxy(methyl)phosphinic acid
PubChem CID23387602
Molecular FormulaC5H13O4P
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name2-methoxypropan-2-yloxy(methyl)phosphinic acid
SMILESCOC(C)(C)OP(C)(=O)O
InChIInChI=1S/C5H13O4P/c1-5(2,8-3)9-10(4,6)7/h1-4H3,(H,6,7)
InChIKeyXPLODPPOBUXEFO-UHFFFAOYSA-N
XLogP1.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[bis[[methyl(oxo)phosphaniumyl]oxy]phosphorylmethyl-(2-methoxypropan-2-yloxy)phosphoryl]oxy-methyl-oxophosphanium
CID 167601012
[hydroxy(dimethoxy)methyl] dihydrogen phosphate
CID 11851022
2,2-dimethoxypropane;methane
CID 162063722
CID 131873404
CID 131873404
tert-butyl(methoxy)phosphinic acid
CID 14945264
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
tert-butyl methoxy hydrogen phosphate
CID 172731458
1,1-dihydroxyethyl dimethyl phosphate
CID 142647593
[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
methyl(prop-1-enoxy)phosphinic acid
CID 154509834
tris(2,4,6-trimethylhepta-1,6-dien-4-yl) phosphate
CID 21284660
dimethylphosphinic acid;ethene
CID 159258868

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropan-2-yloxy(methyl)phosphinic acid?
The IUPAC name of 2-methoxypropan-2-yloxy(methyl)phosphinic acid (CID 23387602) is 2-methoxypropan-2-yloxy(methyl)phosphinic acid.
What is the SMILES notation for 2-methoxypropan-2-yloxy(methyl)phosphinic acid?
The canonical SMILES for 2-methoxypropan-2-yloxy(methyl)phosphinic acid is COC(C)(C)OP(C)(=O)O.
What is the InChIKey of 2-methoxypropan-2-yloxy(methyl)phosphinic acid?
The InChIKey is XPLODPPOBUXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4P/c1-5(2,8-3)9-10(4,6)7/h1-4H3,(H,6,7).
What are the key properties of 2-methoxypropan-2-yloxy(methyl)phosphinic acid?
2-methoxypropan-2-yloxy(methyl)phosphinic acid has a molecular weight of 168.13 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-2-yloxy(methyl)phosphinic acid is sourced from PubChem (CID 23387602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).