2-methoxycarbonylprop-2-enylphosphonic acid

C5H9O5P — CID 52943738

IUPAC2-methoxycarbonylprop-2-enylphosphonic acid
SMILESC=C(CP(=O)(O)O)C(=O)OC
InChIInChI=1S/C5H9O5P/c1-4(5(6)10-2)3-11(7,8)9/h1,3H2,2H3,(H2,7,8,9)
InChIKeyOCAMAQVVROGPGJ-UHFFFAOYSA-N
MW180.10 g/mol
LogP-0.11
Rot. Bonds3

About 2-methoxycarbonylprop-2-enylphosphonic acid

2-methoxycarbonylprop-2-enylphosphonic acid (PubChem CID 52943738) has the molecular formula C5H9O5P and a molecular weight of 180.10 g/mol. Its IUPAC name is 2-methoxycarbonylprop-2-enylphosphonic acid.

Molecular Properties

Compound Name2-methoxycarbonylprop-2-enylphosphonic acid
PubChem CID52943738
Molecular FormulaC5H9O5P
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Name2-methoxycarbonylprop-2-enylphosphonic acid
SMILESC=C(CP(=O)(O)O)C(=O)OC
InChIInChI=1S/C5H9O5P/c1-4(5(6)10-2)3-11(7,8)9/h1,3H2,2H3,(H2,7,8,9)
InChIKeyOCAMAQVVROGPGJ-UHFFFAOYSA-N
XLogP-0.11
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylprop-2-enylphosphonic acid?
The IUPAC name of 2-methoxycarbonylprop-2-enylphosphonic acid (CID 52943738) is 2-methoxycarbonylprop-2-enylphosphonic acid.
What is the SMILES notation for 2-methoxycarbonylprop-2-enylphosphonic acid?
The canonical SMILES for 2-methoxycarbonylprop-2-enylphosphonic acid is C=C(CP(=O)(O)O)C(=O)OC.
What is the InChIKey of 2-methoxycarbonylprop-2-enylphosphonic acid?
The InChIKey is OCAMAQVVROGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O5P/c1-4(5(6)10-2)3-11(7,8)9/h1,3H2,2H3,(H2,7,8,9).
What are the key properties of 2-methoxycarbonylprop-2-enylphosphonic acid?
2-methoxycarbonylprop-2-enylphosphonic acid has a molecular weight of 180.10 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylprop-2-enylphosphonic acid is sourced from PubChem (CID 52943738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).