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Compound
3-Octadeca-9,12-dienoxyoxolan-2-one
HCID
68009206
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Basic information
Standard SMILES
CCCCCC=CCC=CCCCCCCCCOC1CCOC1=O
InChIKey
SYCJZUMPWDXASS-UHFFFAOYSA-N
Molecular formula
C22H38O3
Average molar mass
350.5 g/mol
Names & identifiers
Preferred name
3-Octadeca-9,12-dienoxyoxolan-2-one
IUPAC
3-octadeca-9,12-dienoxyoxolan-2-one
Names & synonyms
SCHEMBL10011366
Database identifiers
PubChem CID
68009206
Properties
Computed structural properties
XLogP
7.4
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
16
Heavy atoms
25
Formal charge
0
Complexity
373
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Related reactions
1 records
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As reactant
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As solvent
HRID
2335809
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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