(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid

C5H11O4P — CID 19875564

IUPAC(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
SMILESCOC(=O)C(C)P(C)(=O)O
InChIInChI=1S/C5H11O4P/c1-4(5(6)9-2)10(3,7)8/h4H,1-3H3,(H,7,8)
InChIKeyLMFWVYQEWIHUJE-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.45
Rot. Bonds2

About (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid

(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid (PubChem CID 19875564) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid.

Molecular Properties

Compound Name(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
PubChem CID19875564
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
SMILESCOC(=O)C(C)P(C)(=O)O
InChIInChI=1S/C5H11O4P/c1-4(5(6)9-2)10(3,7)8/h4H,1-3H3,(H,7,8)
InChIKeyLMFWVYQEWIHUJE-UHFFFAOYSA-N
XLogP0.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid?
The IUPAC name of (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid (CID 19875564) is (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid.
What is the SMILES notation for (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid?
The canonical SMILES for (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid is COC(=O)C(C)P(C)(=O)O.
What is the InChIKey of (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid?
The InChIKey is LMFWVYQEWIHUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-4(5(6)9-2)10(3,7)8/h4H,1-3H3,(H,7,8).
What are the key properties of (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid?
(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid has a molecular weight of 166.11 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid is sourced from PubChem (CID 19875564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).