Structure Database (LMSD)
Common Name
2E-hexenol
Systematic Name
2E-hexenol
Synonyms
3D model of 2E-hexenol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ZCHHRLHTBGRGOT-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
SMILES (Click to copy)
OC/C=C/CCC
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
118.51
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
1.62
Molar Refractivity
31.62
Admin
Created at
-
Updated at
-