chempirical

1-Acetylcyclohexene

C8H12OCAS 932-66-1124.18 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C8H12O
Molar mass
124.18 g/mol
Exact mass
124.0888 Da
logP
2.08Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
932-66-1
SMILES
CC(=O)C1=CCCCC1
InChIKey
LTYLUDGDHUEBGX-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-(Cyclohexen-1-yl)ethanone
  • 1-Acetyl-1-cyclohexene
  • Ethanone, 1-(1-cyclohexen-1-yl)-
  • Methyl 1-cyclohexenyl ketone
  • Ketone, 1-cyclohexen-1-yl methyl
  • 1-Cyclohexen-1-yl methyl ketone
  • Cyclohex-1-enylmethylketone
  • 1-Cyclohexenyl methyl ketone
  • 1-Cyclohex-1-en-1-ylethanone
  • 1Acetyl1cyclohexene
  • Cyclohex1enylmethylketone
  • 1-(Cyclohex-1-en-1-yl)ethanone
  • 1-(Cyclohex-1-en-1-yl)ethan-1-one
  • 1-Cyclohex-1-enyl-ethanone
  • 1-(1-Cyclohexenyl)-ethanone
  • 1-Acetyl-cyclohexene

Work with 1-Acetylcyclohexene

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

1-Cyclohexene-1-carboxylic acid636-82-852 % similar Methyl 1-cyclohexene-1-carboxylate18448-47-052 % similar Methylcyclohexene591-49-144 % similar 1-Cyclohexenyl acetate1424-22-244 % similar 1-Cyclopentene-1-carboxylic acid1560-11-843 % similar 2-Pentyl-2-cyclopenten-1-one25564-22-142 % similar 1-Cyclohexene-1-carboxaldehyde1192-88-737 % similar 1-Methylcyclopentene693-89-036 % similar

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

Same formula

4-Vinylcyclohexene oxide106-86-5 4,4-Dimethyl-2-cyclohexen-1-one1073-13-8 Bicyclo(3.2.1)octan-3-one14252-05-2 6-Methylhepta-3,5-dien-2-one1604-28-0 2-Butylfuran4466-24-4 9-Oxabicyclo[6.1.0]non-4-ene637-90-1 1-Ethynylcyclohexanol78-27-3 Bicyclo[2.2.1]hept-5-ene-2-methanol95-12-5

Elsewhere

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