methyl-(2-methyl-3-oxobutyl)phosphinic acid

C6H13O3P — CID 59235819

IUPACmethyl-(2-methyl-3-oxobutyl)phosphinic acid
SMILESCC(=O)C(C)CP(C)(=O)O
InChIInChI=1S/C6H13O3P/c1-5(6(2)7)4-10(3,8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyBKJACOBJHNHGEW-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.11
Rot. Bonds3

About methyl-(2-methyl-3-oxobutyl)phosphinic acid

methyl-(2-methyl-3-oxobutyl)phosphinic acid (PubChem CID 59235819) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is methyl-(2-methyl-3-oxobutyl)phosphinic acid.

Molecular Properties

Compound Namemethyl-(2-methyl-3-oxobutyl)phosphinic acid
PubChem CID59235819
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Namemethyl-(2-methyl-3-oxobutyl)phosphinic acid
SMILESCC(=O)C(C)CP(C)(=O)O
InChIInChI=1S/C6H13O3P/c1-5(6(2)7)4-10(3,8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyBKJACOBJHNHGEW-UHFFFAOYSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.11
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-methyl-3-oxobutyl)phosphinic acid?
The IUPAC name of methyl-(2-methyl-3-oxobutyl)phosphinic acid (CID 59235819) is methyl-(2-methyl-3-oxobutyl)phosphinic acid.
What is the SMILES notation for methyl-(2-methyl-3-oxobutyl)phosphinic acid?
The canonical SMILES for methyl-(2-methyl-3-oxobutyl)phosphinic acid is CC(=O)C(C)CP(C)(=O)O.
What is the InChIKey of methyl-(2-methyl-3-oxobutyl)phosphinic acid?
The InChIKey is BKJACOBJHNHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-5(6(2)7)4-10(3,8)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of methyl-(2-methyl-3-oxobutyl)phosphinic acid?
methyl-(2-methyl-3-oxobutyl)phosphinic acid has a molecular weight of 164.14 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-3-oxobutyl)phosphinic acid is sourced from PubChem (CID 59235819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).