Structure Database (LMSD)
Common Name
Octyl acetate
Systematic Name
Octyl acetate
Synonyms
3D model of Octyl 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)
YLYBTZIQSIBWLI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
196.50
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.19
Molar Refractivity
50.50
Admin
Created at
-
Updated at
6th Jun 2022