Structure Database (LMSD)
Common Name
2-Hexenyl octanoate
Systematic Name
(2E)-hex-2-en-1-yl octanoate
Synonyms
- WE(6:1(2E)/8:0)
- WE 6:1(2E)/8:0
3D model of 2-Hexenyl octanoate
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)
IRUGSDVUJNNIMW-DHZHZOJOSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,11H,3-7,9-10,12-13H2,1-2H3/b11-8+
SMILES (Click to copy)
O=C(CCCCCCC)OC/C=C/CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
263.06
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.53
Molar Refractivity
68.87
Admin
Created at
-
Updated at
27th Jun 2023