Structure Database (LMSD)
Common Name
Methyl (Z)-3-hexenoate
Systematic Name
methyl (3Z)-hex-3-enoate
Synonyms
3D model of Methyl (Z)-3-hexenoate
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)
XEAIHUDTEINXFG-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4-
SMILES (Click to copy)
COC(=O)C/C=C\CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.52
Molar Refractivity
36.06
Admin
Created at
-
Updated at
6th Jun 2022