Structure Database (LMSD)

Common Name
9E,11Z-Hexadecadienal
Systematic Name
9E,11Z-Hexadecadienal
Synonyms
LM ID
LMFA06000205
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Syntheses of pure (9Z, 11Z), (9E, 11E), (9E, 11Z), and (9Z,11E)-9,11-hexadecadienals-possible candidate pheromones,
J Chem Ecol, 1984

String Representations

InChiKey (Click to copy)
YLYWMNJAJOQSGH-IGTJQSIKSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-8,16H,2-4,9-15H2,1H3/b6-5-,8-7+
SMILES (Click to copy)
C(CCCCCCC/C=C/C=C\CCCC)(=O)[H]

Other Databases

CHEBI ID
196165
PubChem CID
11436306

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.22
Molar Refractivity 76.19

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Created at
-
Updated at
8th Apr 2025