Structure Database (LMSD)
Common Name
3E-pentene-2-one
Systematic Name
3E-pentene-2-one
Synonyms
3D model of 3E-pentene-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)
LABTWGUMFABVFG-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
SMILES (Click to copy)
CC(=O)/C=C/C
References
Calculated Physicochemical Properties
Heavy Atoms
6
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
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
25.49
Admin
Created at
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Updated at
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