Structure Database (LMSD)
Common Name
Isopropenylacetic acid
Systematic Name
3-methyl-3-butenoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Isopropenylacetic 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)
IGRURXZWJCSNKU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)
SMILES (Click to copy)
C=C(C)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
107.36
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.04
Molar Refractivity
27.07
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Created at
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Updated at
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