Structure Database (LMSD)
Common Name
Allyl butyrate
Systematic Name
prop-2-en-1-yl butanoate
Synonyms
3D model of Allyl butyrate
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
String Representations
InChiKey (Click to copy)
RMZIOVJHUJAAEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
SMILES (Click to copy)
O(C(CCC)=O)CC=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.80
Molar Refractivity
36.55
Admin
Created at
-
Updated at
6th Jun 2022