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
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
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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