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N-(2,6,10,14,18-pentamethyl-22-oxo-2,6,10,14,18-tricosapentaenoyl)morpholin

HCID 54200370
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)N1CCOCC1
InChIKey
POURCFPCPVKXGW-UHFFFAOYSA-N
Molecular formula
C32H51NO3
Average molar mass
497.8 g/mol
Monoisotopic mass
497.38689449

Names & identifiers

Preferred name
N-(2,6,10,14,18-pentamethyl-22-oxo-2,6,10,14,18-tricosapentaenoyl)morpholin
IUPAC
2,6,10,14,18-pentamethyl-1-morpholin-4-yltricosa-2,6,10,14,18-pentaene-1,22-dione

Names & synonyms

SCHEMBL10576343POURCFPCPVKXGW-UHFFFAOYSA-NN-(2,6,10,14,18-pentamethyl-22-oxo-2,6,10,14,18-tricosapentaenoyl)morpholin

Database identifiers

PubChem CID
54200370

Properties

Computed structural propertiesFilling in

XLogP
7.5
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
16
Heavy atoms
36
Formal charge
0
Complexity
835

Related reactions

2 records
New reaction record
HRID 200708 reaction equation
HRID 200708As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 477624 reaction equation
HRID 477624As productuspto-grants-1989_12

Compound notes

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