methyl(2-methylpropoxy)phosphinic acid

C5H13O3P — CID 15764431

IUPACmethyl(2-methylpropoxy)phosphinic acid
SMILESCC(C)COP(C)(=O)O
InChIInChI=1S/C5H13O3P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3,(H,6,7)
InChIKeyZNGLGLXWTVMUCL-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.47
Rot. Bonds3

About methyl(2-methylpropoxy)phosphinic acid

methyl(2-methylpropoxy)phosphinic acid (PubChem CID 15764431) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is methyl(2-methylpropoxy)phosphinic acid.

Molecular Properties

Compound Namemethyl(2-methylpropoxy)phosphinic acid
PubChem CID15764431
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Namemethyl(2-methylpropoxy)phosphinic acid
SMILESCC(C)COP(C)(=O)O
InChIInChI=1S/C5H13O3P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3,(H,6,7)
InChIKeyZNGLGLXWTVMUCL-UHFFFAOYSA-N
XLogP1.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(2-methylpropoxy)phosphinic acid?
The IUPAC name of methyl(2-methylpropoxy)phosphinic acid (CID 15764431) is methyl(2-methylpropoxy)phosphinic acid.
What is the SMILES notation for methyl(2-methylpropoxy)phosphinic acid?
The canonical SMILES for methyl(2-methylpropoxy)phosphinic acid is CC(C)COP(C)(=O)O.
What is the InChIKey of methyl(2-methylpropoxy)phosphinic acid?
The InChIKey is ZNGLGLXWTVMUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3,(H,6,7).
What are the key properties of methyl(2-methylpropoxy)phosphinic acid?
methyl(2-methylpropoxy)phosphinic acid has a molecular weight of 152.13 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-methylpropoxy)phosphinic acid is sourced from PubChem (CID 15764431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).