Structure Database (LMSD)

Common Name
13Z,15E-Octadecadienal
Systematic Name
13Z,15E-Octadecadienal
Synonyms
LM ID
LMFA06000285
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micromelalopha sieversi (#1481751)
Insecta (#50557)
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-ICWBMWKASA-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
153522893

Calculated Physicochemical Properties

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

Admin

Created at
6th Jan 2025
Updated at
6th Jan 2025