Structure Database (LMSD)
Common Name
SFE 1:0/14:0(2Me,6Me)
Systematic Name
Methyl 2,6-dimethyl-tetradecanoate
Synonyms
- WE(1:0/14:0(2Me,6Me))
3D model of SFE 1:0/14:0(2Me,6Me)
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 Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Euschistus obscurus
(#1513910)
Insecta
(#50557)
Identification of male-specific volatiles from nearctic and neotropical stink bugs (Heteroptera: Pentatomidae).,
J Chem Ecol, 1994
J Chem Ecol, 1994
Pubmed ID:
24242307
String Representations
InChiKey (Click to copy)
GEHLQHHIWRFUCM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(18)19-4/h15-16H,5-14H2,1-4H3
SMILES (Click to copy)
O=C(C(C)CCCC(C)CCCCCCCC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
317.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.35
Molar Refractivity
82.19
Admin
Created at
-
Updated at
28th Feb 2025