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CID 2778034 (HCID 2778034)|Huagongshe
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Compound
CID 2778034
HCID
2778034
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCCCCCC=CCCCC(=O)OCC
InChIKey
LYMJBMIYQMVCCY-UHFFFAOYSA-N
Molecular formula
C14H26O2
Average molar mass
226.35 g/mol
Names & identifiers
Preferred name
CID 2778034
IUPAC
ethyl dodec-5-enoate
Names & synonyms
SCHEMBL588207
Database identifiers
PubChem CID
2778034
Properties
Computed structural properties
XLogP
4.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
16
Formal charge
0
Complexity
185
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Related reactions
1 records
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As reactant
As product
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As catalyst
As solvent
HRID
134254
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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