Structure Database (LMSD)
Common Name
Ethyl 2-methyl-3,4-pentadienoate
Systematic Name
ethyl 2-methylpenta-3,4-dienoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl 2-methyl-3,4-pentadienoate
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)
DDZLNKMWFGDTAX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3
SMILES (Click to copy)
C=C=CC(C)C(OCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
156.62
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.81
Molar Refractivity
40.00
Admin
Created at
-
Updated at
6th Jun 2022