prop-2-enoxymethylphosphonic acid

C4H9O4P — CID 12585568

IUPACprop-2-enoxymethylphosphonic acid
SMILESC=CCOCP(=O)(O)O
InChIInChI=1S/C4H9O4P/c1-2-3-8-4-9(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
InChIKeyVKQHRIFXXKQAFT-UHFFFAOYSA-N
MW152.09 g/mol
LogP0.32
Rot. Bonds4

About prop-2-enoxymethylphosphonic acid

prop-2-enoxymethylphosphonic acid (PubChem CID 12585568) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is prop-2-enoxymethylphosphonic acid.

Molecular Properties

Compound Nameprop-2-enoxymethylphosphonic acid
PubChem CID12585568
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Nameprop-2-enoxymethylphosphonic acid
SMILESC=CCOCP(=O)(O)O
InChIInChI=1S/C4H9O4P/c1-2-3-8-4-9(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
InChIKeyVKQHRIFXXKQAFT-UHFFFAOYSA-N
XLogP0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethylphosphonic acid?
The IUPAC name of prop-2-enoxymethylphosphonic acid (CID 12585568) is prop-2-enoxymethylphosphonic acid.
What is the SMILES notation for prop-2-enoxymethylphosphonic acid?
The canonical SMILES for prop-2-enoxymethylphosphonic acid is C=CCOCP(=O)(O)O.
What is the InChIKey of prop-2-enoxymethylphosphonic acid?
The InChIKey is VKQHRIFXXKQAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-2-3-8-4-9(5,6)7/h2H,1,3-4H2,(H2,5,6,7).
What are the key properties of prop-2-enoxymethylphosphonic acid?
prop-2-enoxymethylphosphonic acid has a molecular weight of 152.09 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethylphosphonic acid is sourced from PubChem (CID 12585568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).