Structure Database (LMSD)
Common Name
Methyl 9-undecenoate
Systematic Name
methyl (9Z)-undec-9-enoate
Synonyms
3D model of Methyl 9-undecenoate
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)
RHRCWCJKYPOGNT-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3-
SMILES (Click to copy)
COC(=O)CCCCCCC/C=C\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.47
Molar Refractivity
59.15
Admin
Created at
-
Updated at
6th Jun 2022