Structure Database (LMSD)
Common Name
ethyl 4-methyl-octanoate
Systematic Name
ethyl 4-methyl-octanoate
Synonyms
- WE(2:0/8:0(4Me))
No other lipid differing only in stereochemistry/bond geometry found
3D model of ethyl 4-methyl-octanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
GXARNRCIGKRBAP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3
SMILES (Click to copy)
O=C(CCC(C)CCCC)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
213.80
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.44
Molar Refractivity
55.05
Admin
Created at
-
Updated at
6th Jun 2022