2-methylprop-2-enoxymethylphosphonic acid

C5H11O4P — CID 11412583

IUPAC2-methylprop-2-enoxymethylphosphonic acid
SMILESC=C(C)COCP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-5(2)3-9-4-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
InChIKeyMGWGJEOZWMUKCM-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.71
Rot. Bonds4

About 2-methylprop-2-enoxymethylphosphonic acid

2-methylprop-2-enoxymethylphosphonic acid (PubChem CID 11412583) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is 2-methylprop-2-enoxymethylphosphonic acid.

Molecular Properties

Compound Name2-methylprop-2-enoxymethylphosphonic acid
PubChem CID11412583
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name2-methylprop-2-enoxymethylphosphonic acid
SMILESC=C(C)COCP(=O)(O)O
InChIInChI=1S/C5H11O4P/c1-5(2)3-9-4-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
InChIKeyMGWGJEOZWMUKCM-UHFFFAOYSA-N
XLogP0.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enoxymethylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoxymethylphosphonic acid?
The IUPAC name of 2-methylprop-2-enoxymethylphosphonic acid (CID 11412583) is 2-methylprop-2-enoxymethylphosphonic acid.
What is the SMILES notation for 2-methylprop-2-enoxymethylphosphonic acid?
The canonical SMILES for 2-methylprop-2-enoxymethylphosphonic acid is C=C(C)COCP(=O)(O)O.
What is the InChIKey of 2-methylprop-2-enoxymethylphosphonic acid?
The InChIKey is MGWGJEOZWMUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-5(2)3-9-4-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8).
What are the key properties of 2-methylprop-2-enoxymethylphosphonic acid?
2-methylprop-2-enoxymethylphosphonic acid has a molecular weight of 166.11 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoxymethylphosphonic acid is sourced from PubChem (CID 11412583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).