Structure Database (LMSD)
Common Name
SFE 2:0/4:0(2Me)
Systematic Name
ethyl 2-methyl-butanoate
Synonyms
- WE(2:0/4:0(2Me))
3D model of SFE 2:0/4:0(2Me)
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Vaccinium angustifolium
(#472369)
Magnoliopsida
(#3398)
Volatiles of wild blueberry, Vaccinium angustifolium: possible attractants for the blueberry maggot fruit fly, Rhagoletis mendax,
J Agric Food Chem, 1989
J Agric Food Chem, 1989
DOI:
10.1021/jf00085a053
String Representations
InChiKey (Click to copy)
HCRBXQFHJMCTLF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
SMILES (Click to copy)
CCC(C)C(=O)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
144.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.88
Molar Refractivity
36.58
Admin
Created at
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Updated at
8th Apr 2025