Structure Database (LMSD)

Common Name
3E-Tridecenyl acetate
Systematic Name
3E-Tridecenyl acetate
Synonyms
LM ID
LMFA07010264
Formula
C15H28O2
Exact Mass
Calculate m/z
240.20893
Sum Composition
SFE 15:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Scrobipalpa heliopa (#1964129)
Insecta (#50557)
Sex pheromone of tobacco stem borer,Scrobipalpa heliopa (Lower) (Lepidoptera: Gelechiidae).,
J Chem Ecol, 1985
Pubmed ID: 24310324

String Representations

InChiKey (Click to copy)
WAXZBUKVAXZYOV-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h11-12H,3-10,13-14H2,1-2H3/b12-11+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/CCCCCCCCC

Other Databases

PubChem CID
9834662

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 280.36
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.92
Molar Refractivity 73.49

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Created at
-
Updated at
4th Oct 2022