Structure Database (LMSD)
Common Name
4-hydroxyhexenal
Systematic Name
4-hydroxy-2E-hexenal
Synonyms
- 4-HHE
3D model of 4-hydroxyhexenal
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)
JYTUBIHWMKQZRB-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-2-6(8)4-3-5-7/h3-6,8H,2H2,1H3/b4-3+
SMILES (Click to copy)
CCC(O)/C=C/C([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
124.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.80
Molar Refractivity
32.01
Admin
Created at
-
Updated at
22nd Oct 2019