Structure Database (LMSD)
Common Name
2,3-Heptanedione
Systematic Name
2,3-Heptanedione
Synonyms
3D model of 2,3-Heptanedione
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)
FJPGAMCQJNLTJC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
SMILES (Click to copy)
CC(=O)C(=O)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.33
Molar Refractivity
35.21
Admin
Created at
-
Updated at
-