2-Cyclohexylcyclohexanone

C₁₂H₂₀OCAS 90-42-6180.29 g/mol

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Properties

Molecular formula: C₁₂H₂₀O
Molar mass: 180.29 g/mol
Exact mass: 180.1514 Da
Density: 0.987 g/mL (at 16 °C)
Melting point: −32 °C
Boiling point: 264 °C
logP: 3.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

90-42-6

SMILES

O=C1CCCCC1C1CCCCC1

InChIKey

UOBQDYFTAJKQAL-UHFFFAOYSA-N

InChI

InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2

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Names and synonyms

5 names

[1,1′-Bicyclohexyl]-2-one
Cyclohexanone, 2-cyclohexyl-
Lavamenthe
NSC 22249
2-Cyclohexylcyclohexan-1-one

Work with 2-Cyclohexylcyclohexanone

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

(E,E)-2,4-Dodecadienal21662-16-8 Tricyclo[3.3.1.13,7]decane-1-ethanol6240-11-5 1-Hydroxy-3,5-dimethyladamantane707-37-9

Elsewhere

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