Structure Database (LMSD)
Common Name
Isovaleric acid
Systematic Name
3-methyl-butanoic acid
Synonyms
- Isovalerianic acid
- Delphinic acid
- Isopentanoic acid
- Isopropylacetic acid
3D model of Isovaleric acid
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)
GWYFCOCPABKNJV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
SMILES (Click to copy)
CC(C)CC(=O)O
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0226
PubChem CID
PlantFA ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
110.00
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.12
Molar Refractivity
27.09
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Created at
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Updated at
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