Structure Database (LMSD)
Common Name
2-Nonenyl acetate
Systematic Name
2-Nonenyl acetate
Synonyms
3D model of 2-Nonenyl acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WFCCNPHGLLPSDJ-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3/b9-8+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
211.16
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.36
Molar Refractivity
55.02
Admin
Created at
-
Updated at
6th Jun 2022