Structure Database (LMSD)
Common Name
cis-3-Hexenyl cis-3-hexenoate
Systematic Name
(3Z)-hex-3-en-1-yl (3Z)-hex-3-enoate
Synonyms
- WE 6:1(3Z)/6:1(3Z)
- WE(6:1(3Z)/6:1(3Z))
3D model of cis-3-Hexenyl cis-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)
UZJQQWFHPLYECS-SFECMWDFSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
SMILES (Click to copy)
C(OCC/C=C\CC)(C/C=C\CC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
225.82
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.53
Molar Refractivity
59.54
Admin
Created at
-
Updated at
11th Jul 2023