3-Diethoxyphosphoryl-hex-5-en-2-one
Basic information
- CAS
57648-58-5- Standard SMILES
C=CCC(C(C)=O)P(=O)(OCC)OCC- InChIKey
JQSPXYQFWOCCDN-UHFFFAOYSA-N- Molecular formula
- C10H19O4P
- Average molar mass
- 234.23 g/mol
- Monoisotopic mass
- 234.10209608
Names & identifiers
- Preferred name
- 3-Diethoxyphosphoryl-hex-5-en-2-one
- IUPAC
- 3-diethoxyphosphorylhex-5-en-2-one
Names & synonyms
3-diethoxyphosphoryl-hex-5-en-2-one57648-58-5DTXSID80648262diethyl 1-acetyl-3-butenylphosphonateDiethyl (2-oxohex-5-en-3-yl)phosphonate
Database identifiers
- CAS
57648-58-5- PubChem CID
- 24975950
- DTXSID
DTXSID80648262
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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