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

C6H13O4P — CID 89028754

IUPACmethyl-(2-methyl-3-oxobutoxy)phosphinic acid
SMILESCC(=O)C(C)COP(C)(=O)O
InChIInChI=1S/C6H13O4P/c1-5(6(2)7)4-10-11(3,8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyBCDMEHNTRAOSRT-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.04
Rot. Bonds4

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

methyl-(2-methyl-3-oxobutoxy)phosphinic acid (PubChem CID 89028754) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is methyl-(2-methyl-3-oxobutoxy)phosphinic acid.

Molecular Properties

Compound Namemethyl-(2-methyl-3-oxobutoxy)phosphinic acid
PubChem CID89028754
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Namemethyl-(2-methyl-3-oxobutoxy)phosphinic acid
SMILESCC(=O)C(C)COP(C)(=O)O
InChIInChI=1S/C6H13O4P/c1-5(6(2)7)4-10-11(3,8)9/h5H,4H2,1-3H3,(H,8,9)
InChIKeyBCDMEHNTRAOSRT-UHFFFAOYSA-N
XLogP1.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.04
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

methyl-(2-methyl-3-oxobutyl)phosphinic acid
CID 59235819
[(2S)-2-(methylamino)-3-oxobutyl] dihydrogen phosphate
CID 70685115
2,2-bis(2-methylprop-2-enoyloxy)ethoxy-methylphosphinic acid
CID 151668958
3-methyl-4-[(2-methyl-3-oxobutoxy)methoxy]butan-2-one
CID 23594106
methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid
CID 90210674
3-[methoxy(methyl)phosphoryl]oxy-2-methylpropanoic acid
CID 126576964
ethyl 3-dimethylphosphoryloxy-2-methylpropanoate
CID 89491834
(2-methyl-3-oxobutyl) propanoate
CID 87670763
3-[ethoxy(methyl)phosphoryl]butan-2-one
CID 88588834
methyl-[4-[(2S)-2-methyl-3-oxobutyl]phenoxy]phosphinic acid;molecular hydrogen
CID 159637642
2,3-bis[[hydroxy(methyl)phosphoryl]oxy]propyl-trimethylazanium
CID 59991769
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 10656380

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-3-oxobutoxy)phosphinic acid?
The IUPAC name of methyl-(2-methyl-3-oxobutoxy)phosphinic acid (CID 89028754) is methyl-(2-methyl-3-oxobutoxy)phosphinic acid.
What is the SMILES notation for methyl-(2-methyl-3-oxobutoxy)phosphinic acid?
The canonical SMILES for methyl-(2-methyl-3-oxobutoxy)phosphinic acid is CC(=O)C(C)COP(C)(=O)O.
What is the InChIKey of methyl-(2-methyl-3-oxobutoxy)phosphinic acid?
The InChIKey is BCDMEHNTRAOSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-5(6(2)7)4-10-11(3,8)9/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of methyl-(2-methyl-3-oxobutoxy)phosphinic acid?
methyl-(2-methyl-3-oxobutoxy)phosphinic acid has a molecular weight of 180.14 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-3-oxobutoxy)phosphinic acid is sourced from PubChem (CID 89028754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).