Structure database (LMSD)

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LM IDLMFA07040059
Common Name22-Docosanolide
Systematic Name22-Docosanolide
Synonyms-
Exact Mass
338.3185 (neutral)    Calculate m/z:
FormulaC22H42O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
Alternative ClassesCarbocyclic fatty acids[FA0114]
AbbrevFA 22:1
PubChem CID22715389
InChIKeyJVNNUYHKIWNNOR-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C22H42O2/c23-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24-22/h1-21H2
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SMILES
C1(OCCCCCCCCCCCCCCCCCCCCC1)=O
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StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
391.74Topological Polar
Surface Area
28.37Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP7.63Molar
Refractivity
103.79