Structure Database (LMSD)
Common Name
isopropyl 3-hydroxybut-2-enoate
Systematic Name
propan-2-yl 3-hydroxybut-2-enoate
Synonyms
3D model of isopropyl 3-hydroxybut-2-enoate
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)
ZNFAKZVVPSSMDA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h4-5,8H,1-3H3
SMILES (Click to copy)
C(=CC(OC(C)C)=O)(C)O
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
150.75
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
1.69
Molar Refractivity
38.13
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Created at
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Updated at
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