Structure Database (LMSD)

Common Name
9Z,13-Tetradecadien-11-ynal
Systematic Name
9Z,13-Tetradecadien-11-ynal
Synonyms
LM ID
LMFA06000180
Formula
C14H20O
Exact Mass
Calculate m/z
204.151415
Sum Composition
FAL 14:4
Status
Active
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
Stenoma catenifer (#1921420)
Insecta (#50557)
(9Z)-9,13-Tetradecadien-11-ynal, the sex pheromone of the avocado seed moth, Stenoma catenifer,
Tetrahedron Letts, 2008

String Representations

InChiKey (Click to copy)
VHKRYAJKUGIJBD-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,5-6,14H,1,7-13H2/b6-5-
SMILES (Click to copy)
C(CCCCCCC/C=C\C#CC=C)(=O)[H]

Other Databases

PubChem CID
25034157

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 246.35
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.66
Molar Refractivity 65.50

Admin

Created at
-
Updated at
4th Apr 2022