methyl(2-methylpropanoyloxy)phosphinic acid

C5H11O4P — CID 118185294

IUPACmethyl(2-methylpropanoyloxy)phosphinic acid
SMILESCC(C)C(=O)OP(C)(=O)O
InChIInChI=1S/C5H11O4P/c1-4(2)5(6)9-10(3,7)8/h4H,1-3H3,(H,7,8)
InChIKeyQCCJBJOWMKWUDG-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.00
Rot. Bonds2

About methyl(2-methylpropanoyloxy)phosphinic acid

methyl(2-methylpropanoyloxy)phosphinic acid (PubChem CID 118185294) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is methyl(2-methylpropanoyloxy)phosphinic acid.

Molecular Properties

Compound Namemethyl(2-methylpropanoyloxy)phosphinic acid
PubChem CID118185294
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namemethyl(2-methylpropanoyloxy)phosphinic acid
SMILESCC(C)C(=O)OP(C)(=O)O
InChIInChI=1S/C5H11O4P/c1-4(2)5(6)9-10(3,7)8/h4H,1-3H3,(H,7,8)
InChIKeyQCCJBJOWMKWUDG-UHFFFAOYSA-N
XLogP1.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.00
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

dimethylphosphoryl 2-methylpropanoate
CID 87754367
methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid
CID 159625689
[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate
CID 175292316
butanoyloxy(methyl)phosphinic acid
CID 174651436
1-hydroxyethyl dihydrogen phosphate;urea
CID 21118622
(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
CID 19875564
[2,6-bis(2-methylpropanoyloxy)-3,4,5-triphosphonooxycyclohexyl] 2-methylpropanoate
CID 22316359
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
CID 173197860
CID 173197860
methyl 2-methylpropanoate;titanium
CID 174633551
phosphono 2-amino-3-hydroxybutanoate
CID 23421193
methyl-[3-[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]-2-oxopropyl]phosphinic acid
CID 87306600

Frequently Asked Questions

What is the IUPAC name of methyl(2-methylpropanoyloxy)phosphinic acid?
The IUPAC name of methyl(2-methylpropanoyloxy)phosphinic acid (CID 118185294) is methyl(2-methylpropanoyloxy)phosphinic acid.
What is the SMILES notation for methyl(2-methylpropanoyloxy)phosphinic acid?
The canonical SMILES for methyl(2-methylpropanoyloxy)phosphinic acid is CC(C)C(=O)OP(C)(=O)O.
What is the InChIKey of methyl(2-methylpropanoyloxy)phosphinic acid?
The InChIKey is QCCJBJOWMKWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-4(2)5(6)9-10(3,7)8/h4H,1-3H3,(H,7,8).
What are the key properties of methyl(2-methylpropanoyloxy)phosphinic acid?
methyl(2-methylpropanoyloxy)phosphinic acid has a molecular weight of 166.11 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-methylpropanoyloxy)phosphinic acid is sourced from PubChem (CID 118185294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).