Structure Database (LMSD)
Common Name
WE 6:0/6:1(2E)
Systematic Name
hexyl (2E)-hex-2-enoate
Synonyms
- Hexyl 2E-hexenoate
- WE(6:0/6:1(2E))
3D model of WE 6:0/6:1(2E)
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)
NGQTTWDHJIMWOI-CSKARUKUSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3/b10-8+
SMILES (Click to copy)
O(CCCCCC)C(=O)/C=C/CCC
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
3.75
Molar Refractivity
59.64
Admin
Created at
-
Updated at
7th Jul 2023