chempirical

2-Allylcyclohexanone

C9H14OCAS 94-66-6138.21 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C9H14O
Molar mass
138.21 g/mol
Exact mass
138.1045 Da
Density
0.927 g/mL (at 22 °C)
Boiling point
94 °C (at 16 Torr)
logP
2.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
94-66-6
SMILES
C=CCC1CCCCC1=O
InChIKey
UPGHEUSRLZSXAE-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2

Weigh it out

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

Names and synonyms

8 names
  • Cyclohexanone, 2-(2-propen-1-yl)-
  • Cyclohexanone, 2-allyl-
  • Cyclohexanone, 2-(2-propenyl)-
  • 2-(2-Propen-1-yl)cyclohexanone
  • NSC 128921
  • 2-(2-Propenyl)cyclohexanone
  • 2-Allylcyclohexan-1-one
  • 2-(Prop-2-en-1-yl)cyclohexan-1-one

Reactions

Work with 2-Allylcyclohexanone

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-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-747 % similar 2-Oxocyclohexanepropanenitrile4594-78-946 % similar 2-Hexylcyclopentanone13074-65-244 % similar 2-Heptylcyclopentanone137-03-144 % similar 2-Benzylcyclohexanone946-33-843 % similar 2-tert-Butylcyclohexanone1728-46-741 % similar 2-Methylcyclohexanone583-60-841 % similar 2-Bromocyclohexanone822-85-541 % similar

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

Same formula

1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-5 2-Pentylfuran3777-69-3 Phorone504-20-1 2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-6 Trans,cis-2,6-nonadienal557-48-2 (E,E)-2,4-Nonadienal5910-87-2 2,4-Nonadienal6750-03-4 Triplal68039-49-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook