Structure Database (LMSD)
Common Name
9Z-Dodecen-7-ynyl acetate
Systematic Name
9Z-Dodecen-7-ynyl acetate
Synonyms
3D model of 9Z-Dodecen-7-ynyl acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
A new highly effective synthetic pheromone mimic for Lobesia botrana (Lepidoptera: Tortricidae),
Z Naturforschung C, 1988
Z Naturforschung C, 1988
String Representations
InChiKey (Click to copy)
SXWXADDOSOYZMO-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,8-13H2,1-2H3/b5-4-
SMILES (Click to copy)
O(C(=O)C)CCCCCCC#C/C=C\CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
257.78
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.75
Molar Refractivity
67.42
Admin
Created at
-
Updated at
6th Jun 2022