Structure Database (LMSD)

Common Name
5Z,7E-Dodecadienal
Systematic Name
5Z,7E-Dodecadienal
Synonyms
LM ID
LMFA06000165
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
Malacosoma disstria (#40071)
Insecta (#50557)
(Z)-5,(E)-7-Dodecadienal and (Z)-5,(E)-7-Dodecadien-l-ol, Sex Pheromone Components of the Forest Tent Caterpillar, Malacosoma disstria,
Envir Entomol, 1980

String Representations

InChiKey (Click to copy)
LDQDYNHCLZNOFB-MDAAKZFYSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5+,8-7-
SMILES (Click to copy)
C(CCC/C=C\C=C\CCCC)(=O)[H]

Other Databases

PubChem CID
13747944

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
19th Dec 2024