Structure Database (LMSD)
Common Name
2-Methyl-4-pentenoic acid
Systematic Name
2-methylpent-4-enoic acid
Synonyms
3D model of 2-Methyl-4-pentenoic 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)
HVRZYSHVZOELOH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
SMILES (Click to copy)
O=C(C(C)CC=C)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
124.66
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.28
Molar Refractivity
31.61
Admin
Created at
-
Updated at
-