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3-Octadeca-9,12-dienoxyoxolan-2-one

HCID 68009206
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

Related reactions

1 records
New reaction record
HRID 2335809 reaction equation
HRID 2335809As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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