2,2,6-Trimethylcyclohexanone

C₉H₁₆OCAS 2408-37-9140.23 g/mol

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Properties

Molecular formula: C₉H₁₆O
Molar mass: 140.23 g/mol
Exact mass: 140.1201 Da
Density: 0.922 g/mL (at 0 °C)
Melting point: −31.8 °C
Boiling point: 178.5 °C
logP: 2.40Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

2408-37-9

SMILES

CC1CCCC(C)(C)C1=O

InChIKey

ZPVOLGVTNLDBFI-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3

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

Names and synonyms

5 names

Cyclohexanone, 2,2,6-trimethyl-
1,1,3-Trimethyl-2-cyclohexanone
2,6,6-Trimethylcyclohexanone
2,2,6-Trimethylcyclohexan-1-one
NSC 401659

Work with 2,2,6-Trimethylcyclohexanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Cyclohexylacetone103-78-6 (±)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2

Elsewhere

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