Structure Database (LMSD)

Common Name
4Z-Tridecenyl acetate
Systematic Name
4Z-Tridecenyl acetate
Synonyms
LM ID
LMFA07010274
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 Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lepidoptera (#7088)
Insecta (#50557)
New sex attractants for male Lepidoptera (Coleophoridae, Gelechiidae, Momphidae, Oecophoridae, and Yponomeutidae) found by field screening in The Netherlands,
J. Appl. Entomol, 1987

String Representations

InChiKey (Click to copy)
DUCVQKMNGSZPAV-KHPPLWFESA-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/h10-11H,3-9,12-14H2,1-2H3/b11-10-
SMILES (Click to copy)
O(C(=O)C)CCC/C=C\CCCCCCCC

Other Databases

PubChem CID
5365747

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