Structure Database (LMSD)
Common Name
SFE 4:1(2E)(3Me)/3:0
Systematic Name
3-Methyl-2-butenyl propionate
Synonyms
- WE(4:1(2E)(3Me)/3:0)
3D model of SFE 4:1(2E)(3Me)/3:0
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bactrocera visenda
(#1355906)
Insecta
(#50557)
Chemistry of fruit flies: Glandular secretion ofBactrocera (Polistomimetes) visenda (Hardy).,
J Chem Ecol, 1992
J Chem Ecol, 1992
Pubmed ID:
24254865
String Representations
InChiKey (Click to copy)
VFPUFUGUGFKTJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-4-8(9)10-6-5-7(2)3/h5H,4,6H2,1-3H3
SMILES (Click to copy)
O(C(=O)CC)C/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.19
Molar Refractivity
41.17
Admin
Created at
-
Updated at
28th Feb 2025