Structure Database (LMSD)
Common Name
Hexyl acetate
Systematic Name
Hexyl acetate
Synonyms
3D model of Hexyl 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)
AOGQPLXWSUTHQB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
161.90
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.41
Molar Refractivity
41.27
Admin
Created at
-
Updated at
6th Jun 2022