Structure Database (LMSD)
Common Name
SFE 2:0(1Me)/18:1(9Z)
Systematic Name
Isopropyl 9Z-octadecenoate
Synonyms
- WE(2:0(1Me)/18:1(9Z))
3D model of SFE 2:0(1Me)/18:1(9Z)
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
Dermestes maculatus
(#473951)
Insecta
(#50557)
Production site, partial composition and olfactory perception of a pheromone in the male hide beetle,
Naturwissenschaften, 1978
Naturwissenschaften, 1978
DOI:
10.1007/BF00439806
String Representations
InChiKey (Click to copy)
PZQSQRCNMZGWFT-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCCCC)OC(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
384.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.26
Molar Refractivity
101.19
Admin
Created at
-
Updated at
8th Apr 2025