methyl(2-methylpropyl)phosphinic acid

C5H13O2P — CID 22446925

IUPACmethyl(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(C)(=O)O
InChIInChI=1S/C5H13O2P/c1-5(2)4-8(3,6)7/h5H,4H2,1-3H3,(H,6,7)
InChIKeyQVTDANOPJKJDER-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.54
Rot. Bonds2

About methyl(2-methylpropyl)phosphinic acid

methyl(2-methylpropyl)phosphinic acid (PubChem CID 22446925) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is methyl(2-methylpropyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(2-methylpropyl)phosphinic acid
PubChem CID22446925
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Namemethyl(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(C)(=O)O
InChIInChI=1S/C5H13O2P/c1-5(2)4-8(3,6)7/h5H,4H2,1-3H3,(H,6,7)
InChIKeyQVTDANOPJKJDER-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylpropyl)phosphinic acid?
The IUPAC name of methyl(2-methylpropyl)phosphinic acid (CID 22446925) is methyl(2-methylpropyl)phosphinic acid.
What is the SMILES notation for methyl(2-methylpropyl)phosphinic acid?
The canonical SMILES for methyl(2-methylpropyl)phosphinic acid is CC(C)CP(C)(=O)O.
What is the InChIKey of methyl(2-methylpropyl)phosphinic acid?
The InChIKey is QVTDANOPJKJDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-5(2)4-8(3,6)7/h5H,4H2,1-3H3,(H,6,7).
What are the key properties of methyl(2-methylpropyl)phosphinic acid?
methyl(2-methylpropyl)phosphinic acid has a molecular weight of 136.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-methylpropyl)phosphinic acid is sourced from PubChem (CID 22446925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).