Structure Database (LMSD)

Common Name
9Z,12Z-Octadecadienal
Systematic Name
9Z,12Z-Octadecadienal
Synonyms
LM ID
LMFA06000242
Formula
C18H32O
Exact Mass
Calculate m/z
264.245316
Sum Composition
FAL 18:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Estigmene acrea (#56594)
Insecta (#50557)
Sex pheromone of the saltmarsh caterpillar moth,Estigmene acrea.,
J Chem Ecol, 1981
Pubmed ID: 24420681

String Representations

InChiKey (Click to copy)
HXLZULGRVFOIDK-HZJYTTRNSA-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/h6-7,9-10,18H,2-5,8,11-17H2,1H3/b7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CCCCC)(=O)[H]

Other Databases

PubChem CID
5463066

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
13th Jan 2025