Structure Database (LMSD)
Common Name
Methyl 2-octenoate
Systematic Name
methyl oct-2-enoate
Synonyms
3D model of Methyl 2-octenoate
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)
CJBQSBZJDJHMLF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3
SMILES (Click to copy)
O=C(C=CCCCCC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
176.56
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.30
Molar Refractivity
45.30
Admin
Created at
-
Updated at
6th Jun 2022