Structure Database (LMSD)
Common Name
2-methyl-2E-hexenoic acid
Systematic Name
2-methyl-2E-hexenoic acid
Synonyms
3D model of 2-methyl-2E-hexenoic acid
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)
AKOVMBAFZSPEQU-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+
SMILES (Click to copy)
CCC/C=C(\C)/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.82
Molar Refractivity
36.30
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Created at
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Updated at
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