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2-(12-Heneicosenyl)-2-oxazoline

HCID 54550523
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCCCC=CCCCCCCCCCCCC1=NCCO1
InChIKey
ZJOYJEWLHXERTJ-UHFFFAOYSA-N
Molecular formula
C24H45NO
Average molar mass
363.6 g/mol

Names & identifiers

Preferred name
2-(12-Heneicosenyl)-2-oxazoline
IUPAC
2-henicos-12-enyl-4,5-dihydro-1,3-oxazole

Names & synonyms

SCHEMBL9160076ZJOYJEWLHXERTJ-UHFFFAOYSA-N2-(12-heneicosenyl)-2-oxazoline

Database identifiers

PubChem CID
54550523

Properties

Computed structural properties

XLogP
9.4
Topological polar surface area
21.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
19
Heavy atoms
26
Formal charge
0
Complexity
348

Related reactions

2 records
New reaction record
HRID 654281 reaction equation
HRID 654281As productuspto-grants-1992_07
HRID 693521 reaction equation
HRID 693521As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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