Structure Database (LMSD)
Common Name
11Z,13-Tetradecadienal
Systematic Name
11Z,13-Tetradecadienal
Synonyms
3D model of 11Z,13-Tetradecadienal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Argyrotaenia sphaleropa
(#2954329)
Insecta
(#50557)
Sex pheromone of South American tortricid moth Argyrotaenia sphaleropa.,
J Chem Ecol, 2002
J Chem Ecol, 2002
Pubmed ID:
11926198
String Representations
InChiKey (Click to copy)
SZDKVVYLPIWQLJ-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-4,14H,1,5-13H2/b4-3-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\C=C)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
251.63
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.44
Molar Refractivity
66.95
Admin
Created at
-
Updated at
5th Sep 2024