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Ethyl 2-(3-undecylphenoxy)-3-oxopentanoate (HCID 19955508)|Huagongshe
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Compound
Ethyl 2-(3-undecylphenoxy)-3-oxopentanoate
HCID
19955508
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCCCCCCCCCCc1cccc(OC(C(=O)CC)C(=O)OCC)c1
InChIKey
CMJROYXVBXLTCA-UHFFFAOYSA-N
Molecular formula
C24H38O4
Average molar mass
390.6 g/mol
Names & identifiers
Preferred name
Ethyl 2-(3-undecylphenoxy)-3-oxopentanoate
IUPAC
ethyl 3-oxo-2-(3-undecylphenoxy)pentanoate
Names & synonyms
SCHEMBL8903113
CMJROYXVBXLTCA-UHFFFAOYSA-N
ethyl 2-(3-undecylphenoxy)-3-oxopentanoate
Database identifiers
PubChem CID
19955508
Properties
Computed structural properties
XLogP
8.3
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
17
Heavy atoms
28
Formal charge
0
Complexity
421
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Related reactions
7 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
440978
As product
uspto-grants-1996_05
HRID
440979
As reactant
uspto-grants-1996_05
HRID
1081649
As product
uspto-grants-1996_12
HRID
1081650
As reactant
uspto-grants-1996_12
HRID
1779406
As product
uspto-grants-1997_05
HRID
1779407
As reactant
uspto-grants-1997_05
HRID
2153694
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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