Structure Database (LMSD)
Common Name
SFE 8:2(2Z,6E)(3Me,7Me)/1:0
Systematic Name
(Z)-3,7-Dimethyl-2,6-octadienyl formate
Synonyms
- WE(8:2(2Z,6E)(3Me,7Me)/1:0)
- Neryl formate
3D model of SFE 8:2(2Z,6E)(3Me,7Me)/1:0
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
Level 4 Class
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Tyrophagus putrescentiae
(#59818)
Arachnida
(#6854)
Neryl formate: Alarm pheromone of the cheese mite,Tyrophagus putrescentiae(Schrank) (Acarina, Acaridae),
Experientia, 1975
Experientia, 1975
DOI:
10.1007/BF02326740
String Representations
InChiKey (Click to copy)
FQMZVFJYMPNUCT-XFFZJAGNSA-N
InChi (Click to copy)
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
SMILES (Click to copy)
O=COC/C=C(/C)\CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
208.52
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.14
Molar Refractivity
54.93
Admin
Created at
-
Updated at
19th Feb 2025