Structure Database (LMSD)
Common Name
2-Propenyl 2,4-hexadienoate
Systematic Name
prop-2-en-1-yl (2E,4E)-hexa-2,4-dienoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-Propenyl 2,4-hexadienoate
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)
CVNZYQJBZIJLCL-TWTPFVCWSA-N
InChi (Click to copy)
InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+
SMILES (Click to copy)
C(=C/C=C/C)\C(=O)OCC=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
171.28
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.13
Molar Refractivity
45.60
Admin
Created at
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Updated at
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