Structure Database (LMSD)
Common Name
Nonan-4-one
Systematic Name
Nonan-4-one
Synonyms
3D model of Nonan-4-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)
TYBCSQFBSWACAA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3
SMILES (Click to copy)
CCCC(=O)CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
170.41
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.94
Molar Refractivity
44.06
Admin
Created at
-
Updated at
-