Structure Database (LMSD)
Common Name
Methyl 2-undecynoate
Systematic Name
methyl undec-2-ynoate
Synonyms
3D model of Methyl 2-undecynoate
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)
YPUZOJRRZPRXNV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3
SMILES (Click to copy)
COC(=O)C#CCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
225.82
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.91
Molar Refractivity
57.79
Admin
Created at
-
Updated at
6th Jun 2022