Structure Database (LMSD)
Common Name
Decyl acetate
Systematic Name
Decyl acetate
Synonyms
3D model of Decyl acetate
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)
NUPSHWCALHZGOV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
231.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.97
Molar Refractivity
59.73
Admin
Created at
-
Updated at
6th Jun 2022