Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate
Basic information
- CAS
57654-92-9- Standard SMILES
CCOP(=O)(OCC)C(CC=C(C)C)C(C)=O- InChIKey
IXPZWBXXRQRGTA-UHFFFAOYSA-N- Molecular formula
- C12H23O4P
- Average molar mass
- 262.28 g/mol
- Monoisotopic mass
- 262.13339621
Names & identifiers
- Preferred name
- Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonate
- IUPAC
- 3-diethoxyphosphoryl-6-methylhept-5-en-2-one
Names & synonyms
57654-92-9NSC246173Diethyl (6-methyl-2-oxohept-5-en-3-yl)phosphonateDTXSID20311882NSC-246173DS-0048003-Diethoxyphosphoryl-6-methyl-hept-5-en-2-one
Database identifiers
- CAS
57654-92-9- PubChem CID
- 317042
- DTXSID
DTXSID20311882
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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