chempirical

Cyclohexyl ketone

C13H22OCAS 119-60-8194.32 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C13H22O
Molar mass
194.32 g/mol
Exact mass
194.1671 Da
Density
0.986 g/mL (at 0 °C)
Melting point
61 °C
Boiling point
159 °C (at 20 Torr)
logP
3.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
119-60-8
SMILES
O=C(C1CCCCC1)C1CCCCC1
InChIKey
TWXWPPKDQOWNSX-UHFFFAOYSA-N
InChI
InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2

Weigh it out

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

Names and synonyms

6 names
  • Methanone, dicyclohexyl-
  • Dicyclohexylmethanone
  • Dicyclohexyl ketone
  • Bicyclohexyl ketone
  • NSC 49725
  • NSC 60007

Work with Cyclohexyl ketone

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

Dicyclopropyl ketone1121-37-569 % similar Cycloheptanecarboxylic acid1460-16-850 % similar Cyclohexanecarbonyl chloride2719-27-950 % similar Cyclohexanecarboxylic acid98-89-550 % similar Cyclopentanecarboxylic acid3400-45-145 % similar Cyclopentanecarbonyl chloride4524-93-045 % similar Methyl cyclohexanecarboxylate4630-82-444 % similar Ethyl cyclohexanecarboxylate3289-28-941 % similar

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

Same formula

Dihydro-β-ionone17283-81-7 Theaspirane36431-72-8 Geranylacetone3796-70-1 6,10-Dimethyl-5,9-undecadien-2-one689-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook