Structure Database (LMSD)
Common Name
Methyl 3-hydroxy-butanoate
Systematic Name
Methyl 3-hydroxy-butanoate
Synonyms
- WE(1:0/4:0(3OH))
No other lipid differing only in stereochemistry/bond geometry found
3D model of Methyl 3-hydroxy-butanoate
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
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
LDLDJEAVRNAEBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
SMILES (Click to copy)
O=C(CC(O)C)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
118.79
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.22
Molar Refractivity
28.83
Admin
Created at
-
Updated at
6th Jun 2022