Structure via PubChem · Public domain (PubChem)
isovaleric acid
Sign in to saveAlso known as isopropylacetic acid, isobutylformic acid, 3-methylbutyric acid, beta-methylbutyric acid, isopentanoic acid, isovalerianic acid, 3-methyl-n-butyric acid
chemical compound
In the Vinony graph
Within Vinony's link graph, isovaleric acid is referenced by 894 other articles, and connects out to Valeriana officinalis, benzodiazepine drug and alphenal.
Vinony files it under Acids in wine, Alkanoic acids and Chembox having GHS data.
Its subject is documented across 23 Wikipedia language editions.
Chemical data
- Formula
- C5H10O2
- Molecular weight
- 102.13 g/mol
- IUPAC name
- 3-methylbutanoic acid
- SMILES
- CC(C)CC(=O)O
- InChIKey
- GWYFCOCPABKNJV-UHFFFAOYSA-N
- XLogP
- 1.2
- Polar surface area
- 37.3 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- short-chain fatty acid
- Has part
- hydrogen
- Mass
- 102.068
Show 10 more facts
- found in taxon
- Vitis vinifera
- chemical formula
- C₅H₁₀O₂
- canonical SMILES
- CC(C)CC(=O)O
- melting point
- -29.3
- Commons category
- Isovaleric acid
- density
- 0.9286
- subject has role
- metabolite
- ionization energy
- 10.51
- boiling point
- 176.55
- refractive index
- 1.40331
via Wikidata · CC0