chempirical

Cyclohexenone

C6H8OCAS 930-68-796.13 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C6H8O
Molar mass
96.13 g/mol
Exact mass
96.0575 Da
Density
0.986 g/mL (at 20 °C)
Melting point
−53 °C
Boiling point
170 °C
logP
1.30Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
930-68-7
SMILES
O=C1C=CCCC1
InChIKey
FWFSEYBSWVRWGL-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2

Weigh it out

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

Names and synonyms

6 names
  • 2-Cyclohexen-1-one
  • 2-Cyclohexenone
  • 1-Cyclohexen-3-one
  • 3-Oxocyclohexene
  • NSC 59710
  • Cyclohexen-3-one

Reactions

Work with Cyclohexenone

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

Similar compounds

2-Cyclohepten-1-one1121-66-085 % similar Cyclopentenone930-30-370 % similar 2-Octen-4-one4643-27-043 % similar Civetone542-46-138 % similar 3-Octen-2-one1669-44-937 % similar Traumatic acid6402-36-436 % similar 2-Cyclopentene-1,4-dione930-60-936 % similar 3-Methyl-2-cyclohexen-1-one1193-18-636 % similar

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

Same formula

3-Methyl-2-penten-4-yn-1-ol105-29-3 Sorbaldehyde142-83-6 3-Methyl-2-cyclopenten-1-one2758-18-1 2-Ethylfuran3208-16-0 3-Methyl-1-penten-4-yn-3-ol3230-69-1 (2Z)-3-Methyl-2-penten-4-yn-1-ol6153-05-5 2,5-Dimethylfuran625-86-5

Elsewhere

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