Structure Database (LMSD)
Common Name
SFE 6:2(2E,4E)/2:0
Systematic Name
2E,4E-Hexadienyl acetate
Synonyms
3D model of SFE 6:2(2E,4E)/2:0
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
PXVKYPFROMBALG-VNKDHWASSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
SMILES (Click to copy)
O(C(=O)C)C/C=C/C=C/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
156.62
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.97
Molar Refractivity
41.08
Admin
Created at
-
Updated at
14th Feb 2025