2-Methylhexanoic Acid (C7H14O2)

2-Methylhexanoic Acid presents a C7 framework, a carboxylic acid (formula C7H14O2, CAS 4536-23-6). ChemicalTool Reaction can propose ranked disconnections for 2-Methylhexanoic Acid from the SMILES CCCCC(C)C(=O)O.

Target: 2-Methylhexanoic Acid
CAS: 4536-23-6
Formula: C7H14O2
Approx. MW: 130.19
SMILES: CCCCC(C)C(=O)O
PubChem CID: 20653
Approx. carbons: C7

2-Methylhexanoic Acid structure

Properties

IUPAC name: 2-methylhexanoic acid
Common names: 2-METHYLHEXANOIC ACID; 4536-23-6; 2-Methylcaproic acid; Hexanoic acid, 2-methyl-; 2-Hexanecarboxylic acid; alpha-Methylcaproic acid; 2-methyl-hexanoic acid; FEMA No. 3191; .alpha.-Methylcaproic acid; DTXSID9044241
Molecular weight: 130.18
Exact mass: 130.10
InChIKey: CVKMFSAVYPAZTQ-UHFFFAOYSA-N
Boiling point: 105 °C (5 mm Hg)
Density: 0.914-0.918 (20 °C/20 °C)

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2-Methylhexanoic Acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Methylhexanoic Acid?

2-Methylhexanoic Acid has molecular formula C7H14O2. Molecular weight about 130.19 g·mol⁻¹.

What is the CAS number of 2-Methylhexanoic Acid?

The CAS Registry Number for 2-Methylhexanoic Acid is 4536-23-6.

Run AI retrosynthesis for 2-Methylhexanoic Acid Target catalog AI tools overview

Open the planner with 2-Methylhexanoic Acid preloaded, then keep routes that match CAS 4536-23-6.

Related targets

Similar compounds

(S)-2-Amino-6-guanidinohexanoic acid 1-Aminocyclohexanecarboxylic acid 1-Glycylproline 2-Amino-6-ureidohexanoic acid 2-Isopropylmalic acid 3-Methyladipic Acid

Browse the full target catalog

References & tools

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