Structure Database (LMSD)
Common Name
Undecyl acetate
Systematic Name
Undecyl acetate
Synonyms
3D model of Undecyl acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase
String Representations
InChiKey (Click to copy)
CKQGCFFDQIFZFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
248.40
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.37
Molar Refractivity
64.35
Admin
Created at
-
Updated at
6th Jun 2022