2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid

C7H13O6P — CID 59930566

IUPAC2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid
SMILESC=C(COCCP(=O)(O)O)C(=O)OC
InChIInChI=1S/C7H13O6P/c1-6(7(8)12-2)5-13-3-4-14(9,10)11/h1,3-5H2,2H3,(H2,9,10,11)
InChIKeyZRIMNSRDRXFGGN-UHFFFAOYSA-N
MW224.15 g/mol
LogP-0.09
Rot. Bonds6

About 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid

2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid (PubChem CID 59930566) has the molecular formula C7H13O6P and a molecular weight of 224.15 g/mol. Its IUPAC name is 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid.

Molecular Properties

Compound Name2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid
PubChem CID59930566
Molecular FormulaC7H13O6P
Molecular Weight224.15 g/mol
Exact Mass224.04
IUPAC Name2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid
SMILESC=C(COCCP(=O)(O)O)C(=O)OC
InChIInChI=1S/C7H13O6P/c1-6(7(8)12-2)5-13-3-4-14(9,10)11/h1,3-5H2,2H3,(H2,9,10,11)
InChIKeyZRIMNSRDRXFGGN-UHFFFAOYSA-N
XLogP-0.09
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid?
The IUPAC name of 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid (CID 59930566) is 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid.
What is the SMILES notation for 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid?
The canonical SMILES for 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid is C=C(COCCP(=O)(O)O)C(=O)OC.
What is the InChIKey of 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid?
The InChIKey is ZRIMNSRDRXFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O6P/c1-6(7(8)12-2)5-13-3-4-14(9,10)11/h1,3-5H2,2H3,(H2,9,10,11).
What are the key properties of 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid?
2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid has a molecular weight of 224.15 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycarbonylprop-2-enoxy)ethylphosphonic acid is sourced from PubChem (CID 59930566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).