Valproic acid (C8H16O2)

Valproic Acid presents a C8 framework, a carboxylic acid (formula C8H16O2, CAS 99-66-1). ChemicalHelper Reaction can propose ranked disconnections for Valproic Acid from the SMILES CCCC(CCC)C(=O)O.

Target: Valproic acid
CAS: 99-66-1
Formula: C8H16O2
Approx. MW: 144.21
SMILES: CCCC(CCC)C(=O)O
PubChem CID: 3121
Approx. carbons: C8

Valproic acid structure

Properties

IUPAC name: 2-propylpentanoic acid
Common names: VALPROIC ACID; 2-Propylpentanoic acid; 99-66-1; 2-Propylvaleric acid; Dipropylacetic acid; Depakene; Depakine; Mylproin; Di-n-propylacetic acid; Propylvaleric acid
Molecular weight: 144.21
Exact mass: 144.12
InChIKey: NIJJYAXOARWZEE-UHFFFAOYSA-N
Boiling point: 428 °F at 760 mmHg (NTP, 1992)
Density: 0.922 at 32 °F (NTP, 1992) - Less dense than water; will float

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Valproic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Valproic acid?

Valproic acid has molecular formula C8H16O2. Molecular weight about 144.21 g·mol⁻¹.

What is the CAS number of Valproic acid?

The CAS Registry Number for Valproic acid is 99-66-1.

Run AI retrosynthesis for Valproic acid Target catalog AI tools overview

Open the planner with Valproic acid preloaded, then keep routes that match CAS 99-66-1.

Related targets

Similar compounds

octanoic acid 2-Aminooctanoic acid 2-Hydroxyoctanoic acid 6-acetamido-2-aminohexanoic acid 7-aminodesacetoxycephalosporanic acid Butanetetracarboxylic acid

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.