Structure Database (LMSD)
Common Name
3Z-Hexenyl 2R-hydroxy-3-methylbutyrate
Systematic Name
3Z-Hexenyl 2R-hydroxy-3-methylbutyrate
Synonyms
- WE(6:1(3Z)/4:0(2OH[R],3Me))
3D model of 3Z-Hexenyl 2R-hydroxy-3-methylbutyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DGPCWWZIQGEZER-WWQCOOJYSA-N
InChi (Click to copy)
InChI=1S/C11H20O3/c1-4-5-6-7-8-14-11(13)10(12)9(2)3/h5-6,9-10,12H,4,7-8H2,1-3H3/b6-5-/t10-/m1/s1
SMILES (Click to copy)
O=C([C@H](O)C(C)C)OCC/C=C\CC
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
219.95
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.47
Molar Refractivity
56.85
Admin
Created at
-
Updated at
-