Structure Database (LMSD)
Common Name
2-Methylallyl butyrate
Systematic Name
2-methylprop-2-en-1-yl butanoate
Synonyms
3D model of 2-Methylallyl butyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
AHRIFIYGSJEEKU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h2,4-6H2,1,3H3
SMILES (Click to copy)
O(C(=O)CCC)CC(C)=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
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
6th Jun 2022