Structure Database (LMSD)
Common Name
Nonan-2,5-dione
Systematic Name
Nonan-2,5-dione
Synonyms
3D model of Nonan-2,5-dione
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)
LWOMTZPPFKJNPA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-4-5-9(11)7-6-8(2)10/h3-7H2,1-2H3
SMILES (Click to copy)
CC(=O)CCC(=O)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
176.56
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.11
Molar Refractivity
44.45
Admin
Created at
-
Updated at
-