Structure Database (LMSD)

Common Name
13Z,15Z-Octadecadienal
Systematic Name
13Z,15Z-Octadecadienal
Synonyms
LM ID
LMFA06000240
Formula
C18H32O
Exact Mass
Calculate m/z
264.245316
Sum Composition
FAL 18:2
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)
Synthesis and bioactivity of (13Z,15E)-octadecadienal: A sex pheromone component from Micromelalopha siversi Staudinger (Lepidoptera: Notodontidae).,
Pest Manag Sci, 2021
Pubmed ID: 32696568

String Representations

InChiKey (Click to copy)
FBDDFYNEFSLFGI-OUPQRBNQSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-6,18H,2,7-17H2,1H3/b4-3-,6-5-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\C=C/CC)(=O)[H]

Other Databases

PubChem CID
44256589

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 320.83
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.00
Molar Refractivity 85.42

Admin

Created at
-
Updated at
6th Jan 2025