Structure Database (LMSD)
Common Name
n-Butyl Oleate
Systematic Name
(Z)-octadec-9-enoic acid butyl ester
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of n-Butyl Oleate
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
String Representations
InChiKey (Click to copy)
WIBFFTLQMKKBLZ-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
SMILES (Click to copy)
O(CCCC)C(CCCCCCC/C=C\CCCCCCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
401.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.65
Molar Refractivity
105.81
Admin
Created at
-
Updated at
6th Jun 2022