Structure Database (LMSD)
Common Name
3-Methyl-2-butenyl formate
Systematic Name
3-Methyl-2-butenyl formate
Synonyms
- WE(4:1(2)(3Me)/1:0)
3D model of 3-Methyl-2-butenyl formate
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)
XKYICAQFSCFURC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
SMILES (Click to copy)
O=COCCC(C)C
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
127.30
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.49
Molar Refractivity
31.96
Admin
Created at
-
Updated at
6th Jun 2022