Structure Database (LMSD)
Common Name
pentadecyl hexanoate
Systematic Name
pentadecyl hexanoate
Synonyms
- WE(15:0/6:0)
3D model of pentadecyl hexanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
SEUYDDRXLZSABP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23-21(22)19-17-6-4-2/h3-20H2,1-2H3
SMILES (Click to copy)
O=C(CCCCC)OCCCCCCCCCCCCCCC
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Thrips fuscipennis
(#670479)
Insecta
(#50557)
An unexpected mixture of substances in the defensive secretions of the tubuliferan thrips, Callococcithrips fuscipennis (Moulton).,
J Chem Ecol, 2008
J Chem Ecol, 2008
Pubmed ID:
18506530
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
386.80
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.49
Molar Refractivity
101.29
Admin
Created at
-
Updated at
4th Oct 2022