ethyl(prop-2-enoyloxy)phosphinic acid

C5H9O4P — CID 174324939

IUPACethyl(prop-2-enoyloxy)phosphinic acid
SMILESC=CC(=O)OP(=O)(O)CC
InChIInChI=1S/C5H9O4P/c1-3-5(6)9-10(7,8)4-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyOWNKUTCCBNKUNA-UHFFFAOYSA-N
MW164.10 g/mol
LogP0.92
Rot. Bonds3

About ethyl(prop-2-enoyloxy)phosphinic acid

ethyl(prop-2-enoyloxy)phosphinic acid (PubChem CID 174324939) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is ethyl(prop-2-enoyloxy)phosphinic acid.

Molecular Properties

Compound Nameethyl(prop-2-enoyloxy)phosphinic acid
PubChem CID174324939
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Nameethyl(prop-2-enoyloxy)phosphinic acid
SMILESC=CC(=O)OP(=O)(O)CC
InChIInChI=1S/C5H9O4P/c1-3-5(6)9-10(7,8)4-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyOWNKUTCCBNKUNA-UHFFFAOYSA-N
XLogP0.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 50.92
H-Bond Donors ≤ 51
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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Related Compounds

ethenamine;ethyl prop-2-enoate
CID 22022699
methyl prop-2-enoate;phosphoric acid
CID 174689976
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
dimethyl hydrogen phosphate;ethyl prop-2-enoate
CID 87182550
[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate
CID 22644198
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
methyl prop-2-enoate;propyl dihydrogen phosphate
CID 174452884
bis(methyl prop-2-enoate);propane
CID 160610529
[methyl-[(2-methylpropan-2-yl)oxy]phosphoryl] prop-2-enoate
CID 174794227
[propan-2-yloxy(prop-2-enoyloxy)phosphoryl] prop-2-enoate
CID 175013848
[hexyl(methoxy)phosphoryl] prop-2-enoate
CID 174626356
ethoxy dihydrogen phosphate;methyl prop-2-enoate
CID 174680488

Frequently Asked Questions

What is the IUPAC name of ethyl(prop-2-enoyloxy)phosphinic acid?
The IUPAC name of ethyl(prop-2-enoyloxy)phosphinic acid (CID 174324939) is ethyl(prop-2-enoyloxy)phosphinic acid.
What is the SMILES notation for ethyl(prop-2-enoyloxy)phosphinic acid?
The canonical SMILES for ethyl(prop-2-enoyloxy)phosphinic acid is C=CC(=O)OP(=O)(O)CC.
What is the InChIKey of ethyl(prop-2-enoyloxy)phosphinic acid?
The InChIKey is OWNKUTCCBNKUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c1-3-5(6)9-10(7,8)4-2/h3H,1,4H2,2H3,(H,7,8).
What are the key properties of ethyl(prop-2-enoyloxy)phosphinic acid?
ethyl(prop-2-enoyloxy)phosphinic acid has a molecular weight of 164.10 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(prop-2-enoyloxy)phosphinic acid is sourced from PubChem (CID 174324939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).