Isopropyl cyclohexanecarboxylate (C10H18O2)

Isopropyl cyclohexanecarboxylate presents a C10 framework (formula C10H18O2, CAS 6553-80-6). ChemicalTool Reaction can propose ranked disconnections for Isopropyl cyclohexanecarboxylate from the SMILES CC(C)OC(=O)C1CCCCC1.

Target: Isopropyl cyclohexanecarboxylate
CAS: 6553-80-6
Formula: C10H18O2
Approx. MW: 170.25
SMILES: CC(C)OC(=O)C1CCCCC1
PubChem CID: 81039
Approx. carbons: C10

Isopropyl cyclohexanecarboxylate structure

Properties

IUPAC name: propan-2-yl cyclohexanecarboxylate
Common names: 6553-80-6; Isopropyl cyclohexanecarboxylate; Cyclohexanecarboxylic acid, 1-methylethyl ester; DTXSID10215825; RefChem:1082518; DTXCID40138316; 229-474-9; Cyclohexanecarboxylic acid isopropyl ester; propan-2-yl cyclohexanecarboxylate; CYCLOHEXANECARBOXYLICACIDISOPROPYLESTER
Molecular weight: 170.25
Exact mass: 170.13
InChIKey: PMQZNGSMBAGPRU-UHFFFAOYSA-N

View on PubChem

Isopropyl cyclohexanecarboxylate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopropyl cyclohexanecarboxylate?

Isopropyl cyclohexanecarboxylate has molecular formula C10H18O2. Molecular weight about 170.25 g·mol⁻¹.

What is the CAS number of Isopropyl cyclohexanecarboxylate?

The CAS Registry Number for Isopropyl cyclohexanecarboxylate is 6553-80-6.

Run AI retrosynthesis for Isopropyl cyclohexanecarboxylate Target catalog AI tools overview

Open the planner with Isopropyl cyclohexanecarboxylate preloaded, then keep routes that match CAS 6553-80-6.

Related targets

Similar compounds

2-Cyclohexylethyl acetate 4-Cyclohexylbutanoic acid 4-Isopropylcyclohexanecarboxylic acid alpha-Hexyl-gamma-butyrolactone Cyclohexyl butyrate Ethyl cyclohexylacetate

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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.