Structure Database (LMSD)
Common Name
Isopropyl tiglate
Systematic Name
propan-2-yl (2Z)-2-methylbut-2-enoate
Synonyms
3D model of Isopropyl tiglate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
VUPBIVVRPJDWNW-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5-
SMILES (Click to copy)
O=C(/C(/C)=C\C)OC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.19
Molar Refractivity
41.17
Admin
Created at
-
Updated at
-