methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid

C7H15O5P — CID 159625689

IUPACmethyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid
SMILESCC(OC(=O)C(C)C)OP(C)(=O)O
InChIInChI=1S/C7H15O5P/c1-5(2)7(8)11-6(3)12-13(4,9)10/h5-6H,1-4H3,(H,9,10)
InChIKeyIMUDZAMYKDLZKB-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.36
Rot. Bonds4

About methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid

methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid (PubChem CID 159625689) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid
PubChem CID159625689
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Namemethyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid
SMILESCC(OC(=O)C(C)C)OP(C)(=O)O
InChIInChI=1S/C7H15O5P/c1-5(2)7(8)11-6(3)12-13(4,9)10/h5-6H,1-4H3,(H,9,10)
InChIKeyIMUDZAMYKDLZKB-UHFFFAOYSA-N
XLogP1.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.36
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

methyl(2-methylpropanoyloxy)phosphinic acid
CID 118185294
1-carbonochloridoyloxyethyl 2-methylpropanoate
CID 19067199
dimethylphosphoryl 2-methylpropanoate
CID 87754367
methane;1-propanoyloxyethyl 2-methylpropanoate
CID 161244899
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
CID 87127892
methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
CID 88872166
[(2S)-3,3,4,4,4-pentafluorobutan-2-yl] 2-methylpropanoate
CID 153060888
[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
CID 87536097
methyl-[3-[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]-2-oxopropyl]phosphinic acid
CID 87306600
1-dimethoxyphosphoryloxyethyl prop-2-enoate
CID 21386963
[(2S,3S,4R)-2,3,4-tris(2-methylpropanoyloxy)-5-phosphonooxypentyl] 2-methylpropanoate
CID 162392870

Frequently Asked Questions

What is the IUPAC name of methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid?
The IUPAC name of methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid (CID 159625689) is methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid.
What is the SMILES notation for methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid?
The canonical SMILES for methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid is CC(OC(=O)C(C)C)OP(C)(=O)O.
What is the InChIKey of methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid?
The InChIKey is IMUDZAMYKDLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-5(2)7(8)11-6(3)12-13(4,9)10/h5-6H,1-4H3,(H,9,10).
What are the key properties of methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid?
methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid has a molecular weight of 210.17 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid is sourced from PubChem (CID 159625689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).