ethyl(ethynyl)phosphinic acid

C4H7O2P — CID 175795398

IUPACethyl(ethynyl)phosphinic acid
SMILESC#CP(=O)(O)CC
InChIInChI=1S/C4H7O2P/c1-3-7(5,6)4-2/h1H,4H2,2H3,(H,5,6)
InChIKeyAQEJEPCSNXYJJO-UHFFFAOYSA-N
MW118.07 g/mol
LogP0.87
Rot. Bonds1

About ethyl(ethynyl)phosphinic acid

ethyl(ethynyl)phosphinic acid (PubChem CID 175795398) has the molecular formula C4H7O2P and a molecular weight of 118.07 g/mol. Its IUPAC name is ethyl(ethynyl)phosphinic acid.

Molecular Properties

Compound Nameethyl(ethynyl)phosphinic acid
PubChem CID175795398
Molecular FormulaC4H7O2P
Molecular Weight118.07 g/mol
Exact Mass118.02
IUPAC Nameethyl(ethynyl)phosphinic acid
SMILESC#CP(=O)(O)CC
InChIInChI=1S/C4H7O2P/c1-3-7(5,6)4-2/h1H,4H2,2H3,(H,5,6)
InChIKeyAQEJEPCSNXYJJO-UHFFFAOYSA-N
XLogP0.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.07
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethyl(ethynyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl(ethynyl)phosphinic acid?
The IUPAC name of ethyl(ethynyl)phosphinic acid (CID 175795398) is ethyl(ethynyl)phosphinic acid.
What is the SMILES notation for ethyl(ethynyl)phosphinic acid?
The canonical SMILES for ethyl(ethynyl)phosphinic acid is C#CP(=O)(O)CC.
What is the InChIKey of ethyl(ethynyl)phosphinic acid?
The InChIKey is AQEJEPCSNXYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2P/c1-3-7(5,6)4-2/h1H,4H2,2H3,(H,5,6).
What are the key properties of ethyl(ethynyl)phosphinic acid?
ethyl(ethynyl)phosphinic acid has a molecular weight of 118.07 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(ethynyl)phosphinic acid is sourced from PubChem (CID 175795398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).