Structure Database (LMSD)
Common Name
Butyl undecylenate
Systematic Name
butyl undec-10-enoate
Synonyms
3D model of Butyl undecylenate
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)
GRAORJFMGCQWRN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
SMILES (Click to copy)
C=CCCCCCCCCC(OCCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
280.36
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.92
Molar Refractivity
73.49
Admin
Created at
-
Updated at
6th Jun 2022