Structure Database (LMSD)
Common Name
WE 6:0/16:0
Systematic Name
hexyl hexadecanoate
Synonyms
- WE(6:0/16:0)
3D model of WE 6:0/16:0
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Colias
(#42295)
Insecta
(#50557)
Aphrodisiac pheromones of the sulfur butterflies Colias eurytheme and C. Philodice (Lepidoptera, Pieridae),
J Chem Ecol, 1980
J Chem Ecol, 1980
DOI:
10.1007/BF00987543
String Representations
InChiKey (Click to copy)
IOVYZELOJXWQKD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
404.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.88
Molar Refractivity
105.90
Admin
Created at
-
Updated at
20th Jan 2025