chempirical

2-Acetylcyclohexanone

C8H12O2CAS 874-23-7140.18 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C8H12O2
Molar mass
140.18 g/mol
Exact mass
140.0837 Da
Density
1.075 g/mL (at 0 °C)
Melting point
112–116 °C
Boiling point
111–112 °C (at 18 Torr)
logP
1.33Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
874-23-7
SMILES
CC(=O)C1CCCCC1=O
InChIKey
OEKATORRSPXJHE-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Cyclohexanone, 2-acetyl-
  • α-Acetylcyclohexanone
  • 2-Acetyl-1-cyclohexanone
  • NSC 7713

Work with 2-Acetylcyclohexanone

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-Acetylcyclopentanone1670-46-888 % similar Methyl 2-cyclohexanonecarboxylate41302-34-553 % similar Cyclohexenylcyclohexanone1502-22-350 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-850 % similar 2-Methylcyclohexanone583-60-848 % similar Methyl 2-oxocyclopentanecarboxylate10472-24-945 % similar 2-tert-Butylcyclohexanone1728-46-744 % similar 2-Bromocyclohexanone822-85-543 % similar

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

Same formula

Vinylcyclohexene dioxide106-87-6 Dimedone126-81-8 1-Cyclohexenyl acetate1424-22-2 2,4-Hexadienyl acetate1516-17-2 1-Cyclohexene-1-acetic acid18294-87-6 Methyl 1-cyclohexene-1-carboxylate18448-47-0 Ethyl cyclopent-3-enecarboxylate21622-01-5 Ethyl sorbate2396-84-1

Elsewhere

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