Diisopropyl ketone (C7H14O)

Diisopropyl ketone (C7H14O; CAS 565-80-0) is a practical retrosynthesis target. Diisopropyl ketone presents a C7 framework. Open AI route search in one click below.

Target: Diisopropyl ketone
CAS: 565-80-0
Formula: C7H14O
Approx. MW: 114.19
SMILES: CC(C)C(=O)C(C)C
PubChem CID: 11271
Approx. carbons: C7

Diisopropyl ketone structure

Properties

IUPAC name: 2,4-dimethylpentan-3-one
Common names: 2,4-DIMETHYL-3-PENTANONE; 2,4-Dimethylpentan-3-one; 565-80-0; Diisopropyl ketone; 3-Pentanone, 2,4-dimethyl-; DIISOPROPYLKETONE; DTXSID3038771; (iso-C3H7)2CO; UNII-7AAP3A50IG; EINECS 209-294-7
Molecular weight: 114.19
Exact mass: 114.10
InChIKey: HXVNBWAKAOHACI-UHFFFAOYSA-N
Melting point: -69 °C
Boiling point: 125.40 °C. @ 760.00 mm Hg
Density: 0.8108 @25 °C

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Diisopropyl ketone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Diisopropyl ketone?

Diisopropyl ketone has molecular formula C7H14O. Molecular weight about 114.19 g·mol⁻¹.

What is the CAS number of Diisopropyl ketone?

The CAS Registry Number for Diisopropyl ketone is 565-80-0.

Run AI retrosynthesis for Diisopropyl ketone Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H14O.

Related targets

Similar compounds

2-Pentyloxirane 4-Methylcyclohexanol 5-Methyl-2-Hexanone Cycloheptanol hept-6-en-1-ol Heptanal

Browse the full target catalog

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.