methoxycarbonyl(prop-2-enoxy)phosphinic acid

C5H9O5P — CID 130449055

IUPACmethoxycarbonyl(prop-2-enoxy)phosphinic acid
SMILESC=CCOP(=O)(O)C(=O)OC
InChIInChI=1S/C5H9O5P/c1-3-4-10-11(7,8)5(6)9-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeySOOBLYROUSHYTH-UHFFFAOYSA-N
MW180.10 g/mol
LogP1.14
Rot. Bonds4

About methoxycarbonyl(prop-2-enoxy)phosphinic acid

methoxycarbonyl(prop-2-enoxy)phosphinic acid (PubChem CID 130449055) has the molecular formula C5H9O5P and a molecular weight of 180.10 g/mol. Its IUPAC name is methoxycarbonyl(prop-2-enoxy)phosphinic acid.

Molecular Properties

Compound Namemethoxycarbonyl(prop-2-enoxy)phosphinic acid
PubChem CID130449055
Molecular FormulaC5H9O5P
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Namemethoxycarbonyl(prop-2-enoxy)phosphinic acid
SMILESC=CCOP(=O)(O)C(=O)OC
InChIInChI=1S/C5H9O5P/c1-3-4-10-11(7,8)5(6)9-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeySOOBLYROUSHYTH-UHFFFAOYSA-N
XLogP1.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-2-enyl dihydrogen phosphate
CID 87755414
N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide
CID 170085376
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
2-ethyl-2-[hydroxy(prop-2-enoxy)phosphoryl]butanoic acid
CID 87623083
methyl prop-2-enoate;phosphoric acid
CID 174689976
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
CID 19024375

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl(prop-2-enoxy)phosphinic acid?
The IUPAC name of methoxycarbonyl(prop-2-enoxy)phosphinic acid (CID 130449055) is methoxycarbonyl(prop-2-enoxy)phosphinic acid.
What is the SMILES notation for methoxycarbonyl(prop-2-enoxy)phosphinic acid?
The canonical SMILES for methoxycarbonyl(prop-2-enoxy)phosphinic acid is C=CCOP(=O)(O)C(=O)OC.
What is the InChIKey of methoxycarbonyl(prop-2-enoxy)phosphinic acid?
The InChIKey is SOOBLYROUSHYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O5P/c1-3-4-10-11(7,8)5(6)9-2/h3H,1,4H2,2H3,(H,7,8).
What are the key properties of methoxycarbonyl(prop-2-enoxy)phosphinic acid?
methoxycarbonyl(prop-2-enoxy)phosphinic acid has a molecular weight of 180.10 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl(prop-2-enoxy)phosphinic acid is sourced from PubChem (CID 130449055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).