Structure Database (LMSD)
Common Name
Oenanthic ether
Systematic Name
ethyl heptanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Oenanthic ether
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)
TVQGDYNRXLTQAP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
SMILES (Click to copy)
C(OCC)(=O)CCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
179.20
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.80
Molar Refractivity
45.88
Admin
Created at
-
Updated at
6th Jun 2022