Structure Database (LMSD)
Common Name
1-Ethenylhexyl butanoate
Systematic Name
oct-1-en-3-yl butanoate
Synonyms
3D model of 1-Ethenylhexyl butanoate
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)
LZWFXVJBIZIHCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
SMILES (Click to copy)
C=CC(OC(=O)CCC)CCCCC
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
-