1,1-Dichloro-3,3-dimethyl-2-butanone

C₆H₁₀Cl₂OCAS 22591-21-5169.04 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₆H₁₀Cl₂O
Molar mass: 169.04 g/mol
Exact mass: 168.0109 Da
Melting point: 50–51 °C
Boiling point: 79–84 °C (at 15 Torr)
logP: 2.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

22591-21-5

SMILES

CC(C)(C)C(=O)C(Cl)Cl

InChIKey

UDWZXMQIEHAAQT-UHFFFAOYSA-N

InChI

InChI=1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2-Butanone, 1,1-dichloro-3,3-dimethyl-
Dichloromethyl tert-butyl ketone
α,α-Dichloropinacolin
1,1-Dichloropinacolone

Work with 1,1-Dichloro-3,3-dimethyl-2-butanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pivaloyl chloride3282-30-238 % similar 1,1-Dichloroacetone513-88-238 % similar Pindone83-26-138 % similar 1,1,3,3-Tetrachloropropanone632-21-336 % similar Di-tert-butyl ketone815-24-736 % similar 1-Chloropinacolone13547-70-135 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-433 % similar Methyl dichloroacetate116-54-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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