2-Chloro-2-methylcyclohexan-1-one

C₇H₁₁ClOCAS 10409-46-8146.61 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₇H₁₁ClO
Molar mass: 146.61 g/mol
Exact mass: 146.0498 Da
logP: 2.13Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

10409-46-8

SMILES

CC1(CCCCC1=O)Cl

InChIKey

IDRWHLQDVSLCBJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H11ClO/c1-7(8)5-3-2-4-6(7)9/h2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names

Cyclohexanone, 2-chloro-2-methyl-
2-Chloro-2-methylcyclohexanone
Cyclohexanone,2-chloro-2-methyl-
2-Methyl-2-chlorocyclohexanone

Reactions

2-CHLORO-2-METHYLCYCLOHEXANONE and 2-METHYL-2-CYCLOHEXENONE ((Cyclohexanone, 2-chloro-2-methyl-) and (2-Cyclohexen-1-one, 2-methyl-))product

Work with 2-Chloro-2-methylcyclohexan-1-one

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

2-n-Butyl-2-methylcyclohexanone1197-78-048 % similar 2,2-Dimethylcyclopentanone4541-32-648 % similar 2,2-Dimethylcyclohexane-1,3-dione562-13-046 % similar Neodecanoyl chloride40292-82-841 % similar Cyclohexanone, 2-(methylamino)-2-phenyl-, hydrochloride (1:1)4631-27-037 % similar 1-Chloropinacolone13547-70-136 % similar 1-Amino-3,3-dimethylbutan-2-one82962-91-236 % similar Ketamine hydrochloride1867-66-936 % similar

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

Same formula

Cyclohexanecarbonyl chloride2719-27-9

Elsewhere

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