Structure Database (LMSD)
Common Name
4-penten-2-one
Systematic Name
4-penten-2-one
Synonyms
3D model of 4-penten-2-one
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)
PNJWIWWMYCMZRO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
SMILES (Click to copy)
CC(=O)CC=C
References
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
98.57
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.15
Molar Refractivity
25.50
Admin
Created at
-
Updated at
-