Structure Database (LMSD)
Common Name
Bombykol linolenate
Systematic Name
10E,12Z-hexadecadienyl 9Z,12Z,15Z-octadecatrienoate
Synonyms
- WE(16:2(10E,12Z)/18:3(9Z,12Z,15Z))
3D model of Bombykol linolenate
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)
LHKUGDSAONBNDE-CXHXJJQHSA-N
InChi (Click to copy)
InChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7-8,10-14,17,19H,3-4,6,9,15-16,18,20-33H2,1-2H3/b7-5-,10-8-,13-11-,14-12+,19-17-
SMILES (Click to copy)
CCC/C=C\C=C\CCCCCCCCCOC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
Aromatic Rings
Rotatable Bonds
27
Van der Waals Molecular Volume
598.50
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
11.44
Molar Refractivity
160.84
Admin
Created at
17th May 2022
Updated at
14th Jun 2023