Structure Database (LMSD)
Common Name
Tridecan-3-one
Systematic Name
Tridecan-3-one
Synonyms
3D model of Tridecan-3-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)
ZDIXOWNDGFVYNK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
239.61
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.50
Molar Refractivity
62.53
Admin
Created at
-
Updated at
-