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(6-Ethoxy-5,5-dimethyl-6-oxohexyl)-triphenylphosphanium (HCID 86665670)|Huagongshe
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Compound
(6-Ethoxy-5,5-dimethyl-6-oxohexyl)-triphenylphosphanium
HCID
86665670
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)C(C)(C)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
FOARBPWFGDSFII-UHFFFAOYSA-N
Molecular formula
C28H34O2P+
Average molar mass
433.5 g/mol
Names & identifiers
Preferred name
(6-Ethoxy-5,5-dimethyl-6-oxohexyl)-triphenylphosphanium
IUPAC
(6-ethoxy-5,5-dimethyl-6-oxohexyl)-triphenylphosphanium
Names & synonyms
SCHEMBL8735784
Database identifiers
PubChem CID
86665670
Properties
Computed structural properties
XLogP
6.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
31
Formal charge
1
Complexity
480
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
125463
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
137935
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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