Structure Database (LMSD)
Common Name
Ethyl 2-ethyl-3-phenylpropanoate
Systematic Name
ethyl 2-benzylbutanoate
Synonyms
3D model of Ethyl 2-ethyl-3-phenylpropanoate
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)
QDCUBAFTOOPBFR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
SMILES (Click to copy)
C1C=C(CC(CC)C(=O)OCC)C=CC=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
1
Rotatable Bonds
6
Van der Waals Molecular Volume
217.22
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.10
Molar Refractivity
61.05
Admin
Created at
-
Updated at
6th Jun 2022