Structure Database (LMSD)
Common Name
2,4-Dimethyl-2-hexenoic acid
Systematic Name
2,4-Dimethyl-2-hexenoic acid
Synonyms
3D model of 2,4-Dimethyl-2-hexenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DCELYZLYGOHVMN-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-4-6(2)5-7(3)8(9)10/h5-6H,4H2,1-3H3,(H,9,10)/b7-5+
SMILES (Click to copy)
C(/C(/C)=C/C(C)CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.06
Molar Refractivity
40.85
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Created at
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Updated at
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