Structure Database (LMSD)

Common Name
8E,10E-Dodecadienal
Systematic Name
8E,10E-Dodecadienal
Synonyms
LM ID
LMFA06000155
Formula
C12H20O
Exact Mass
Calculate m/z
180.151415
Sum Composition
FAL 12:2
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
Cydia pomonella (#82600)
Insecta (#50557)
Sex pheromone blend of the codling moth,Cydia pomonella: Evidence for a behavioral role of dodecan-1-ol,
Experientia, 1985

String Representations

InChiKey (Click to copy)
TYICDYOLAPJHGA-MQQKCMAXSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,12H,6-11H2,1H3/b3-2+,5-4+
SMILES (Click to copy)
C(CCCCCC/C=C/C=C/C)(=O)[H]

Other Databases

PubChem CID
5367590

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 217.03
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.66
Molar Refractivity 57.72

Admin

Created at
-
Updated at
6th Jan 2025