O-Ethyl methylethylphosphinate

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Basic information

CAS: 109739-44-8
Standard SMILES: CCO[P+](=O)C(C)C
InChIKey: PLXIGQNKCOQIOB-UHFFFAOYSA-N
Molecular formula: C5H12O2P+
Average molar mass: 135.12 g/mol
Monoisotopic mass: 135.05749162

Names & identifiers

Preferred name: O-Ethyl methylethylphosphinate
IUPAC: ethoxy-oxo-propan-2-ylphosphanium

Names & synonyms

O-Ethyl methylethylphosphinate109739-44-8SCHEMBL3907416DTXSID30545196JQEYJHAXNMZEBI-UHFFFAOYSA-NPLXIGQNKCOQIOB-UHFFFAOYSA-NEthoxy(oxo)(propan-2-yl)phosphanium

Database identifiers

CAS: 109739-44-8
PubChem CID: 13620591
DTXSID: DTXSID30545196
Nikkaji: J1.912.470C

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 1
Complexity: 80.5

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Compound notes

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