2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid

C5H12O7P2 — CID 11437938

IUPAC2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid
SMILESC=C(C)COCP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C5H12O7P2/c1-5(2)3-11-4-13(6,7)12-14(8,9)10/h1,3-4H2,2H3,(H,6,7)(H2,8,9,10)
InChIKeyGPMIWSDBEYNRJN-UHFFFAOYSA-N
MW246.09 g/mol
LogP0.83
Rot. Bonds6

About 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid

2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid (PubChem CID 11437938) has the molecular formula C5H12O7P2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid.

Molecular Properties

Compound Name2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid
PubChem CID11437938
Molecular FormulaC5H12O7P2
Molecular Weight246.09 g/mol
Exact Mass246.01
IUPAC Name2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid
SMILESC=C(C)COCP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C5H12O7P2/c1-5(2)3-11-4-13(6,7)12-14(8,9)10/h1,3-4H2,2H3,(H,6,7)(H2,8,9,10)
InChIKeyGPMIWSDBEYNRJN-UHFFFAOYSA-N
XLogP0.83
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic 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-enoxymethyl(phosphonooxy)phosphinic acid?
The IUPAC name of 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid (CID 11437938) is 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid.
What is the SMILES notation for 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid?
The canonical SMILES for 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid is C=C(C)COCP(=O)(O)OP(=O)(O)O.
What is the InChIKey of 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid?
The InChIKey is GPMIWSDBEYNRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O7P2/c1-5(2)3-11-4-13(6,7)12-14(8,9)10/h1,3-4H2,2H3,(H,6,7)(H2,8,9,10).
What are the key properties of 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid?
2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid has a molecular weight of 246.09 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoxymethyl(phosphonooxy)phosphinic acid is sourced from PubChem (CID 11437938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).