Structure Database (LMSD)
Common Name
Ethyl octynecarboxylate
Systematic Name
ethyl non-2-ynoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl octynecarboxylate
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)
BFZNMUGAZYAMTG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
SMILES (Click to copy)
C(C#CCCCCCC)(=O)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
208.52
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.81
Molar Refractivity
53.66
Admin
Created at
-
Updated at
6th Jun 2022