ethyl(prop-1-en-2-yloxy)phosphinic acid

C5H11O3P — CID 87155786

IUPACethyl(prop-1-en-2-yloxy)phosphinic acid
SMILESC=C(C)OP(=O)(O)CC
InChIInChI=1S/C5H11O3P/c1-4-9(6,7)8-5(2)3/h2,4H2,1,3H3,(H,6,7)
InChIKeyVRAXTXKEWSOFDZ-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.74
Rot. Bonds3

About ethyl(prop-1-en-2-yloxy)phosphinic acid

ethyl(prop-1-en-2-yloxy)phosphinic acid (PubChem CID 87155786) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is ethyl(prop-1-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nameethyl(prop-1-en-2-yloxy)phosphinic acid
PubChem CID87155786
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Nameethyl(prop-1-en-2-yloxy)phosphinic acid
SMILESC=C(C)OP(=O)(O)CC
InChIInChI=1S/C5H11O3P/c1-4-9(6,7)8-5(2)3/h2,4H2,1,3H3,(H,6,7)
InChIKeyVRAXTXKEWSOFDZ-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl(prop-1-en-2-yloxy)phosphinic acid?
The IUPAC name of ethyl(prop-1-en-2-yloxy)phosphinic acid (CID 87155786) is ethyl(prop-1-en-2-yloxy)phosphinic acid.
What is the SMILES notation for ethyl(prop-1-en-2-yloxy)phosphinic acid?
The canonical SMILES for ethyl(prop-1-en-2-yloxy)phosphinic acid is C=C(C)OP(=O)(O)CC.
What is the InChIKey of ethyl(prop-1-en-2-yloxy)phosphinic acid?
The InChIKey is VRAXTXKEWSOFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-4-9(6,7)8-5(2)3/h2,4H2,1,3H3,(H,6,7).
What are the key properties of ethyl(prop-1-en-2-yloxy)phosphinic acid?
ethyl(prop-1-en-2-yloxy)phosphinic acid has a molecular weight of 150.11 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(prop-1-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87155786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).