Structure Database (LMSD)
Common Name
3-tert-butyl-3-butenoic acid
Systematic Name
3-tert-butyl-3-butenoic acid
Synonyms
3D model of 3-tert-butyl-3-butenoic 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)
FDWQCFNUKWFHGX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h1,5H2,2-4H3,(H,9,10)
SMILES (Click to copy)
C=C(C(C)(C)C)CC(=O)O
Other Databases
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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