Structure Database (LMSD)
Common Name
4-ene-Valproic acid
Systematic Name
2-propylpent-4-enoic acid
Synonyms
3D model of 4-ene-Valproic 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)
UMYDNZXEHYSVFY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
SMILES (Click to copy)
C=CCC(C(=O)O)CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
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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