Structure Database (LMSD)

Common Name
5Z-Dodecenal
Systematic Name
5Z-Dodecenal
Synonyms
LM ID
LMFA06000161
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FAL 12:1
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
Gastropacha quercifolia (#1502188)
Insecta (#50557)
Chemical structure and final steps of biosynthesis of the female sex pheromone of Gastropacha quercifolia (Lepidoptera: Lasiocampidae),
Insec Biochem Mol Biol, 1993

String Representations

InChiKey (Click to copy)
MXYKXSMSECVABY-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7-
SMILES (Click to copy)
C(CCC/C=C\CCCCCC)(=O)[H]

Other Databases

PubChem CID
5362687

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.88
Molar Refractivity 57.81

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Created at
-
Updated at
15th Jan 2024