chempirical

Dihydro-β-ionone

C13H22OCAS 17283-81-7194.32 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C13H22O
Molar mass
194.32 g/mol
Exact mass
194.1671 Da
Density
0.9264 g/mL (at 20 °C)
Boiling point
121–122 °C (at 10 Torr)
logP
3.88Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
17283-81-7
SMILES
CC(=O)CCC1=C(C)CCCC1(C)C
InChIKey
QJJDNZGPQDGNDX-UHFFFAOYSA-N
InChI
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
  • β-Ionone, dihydro-
  • 7,8-Dihydro-β-ionone
  • α,β-Dihydro-β-ionone
  • β-7,8-Dihydroionone

Work with Dihydro-β-ionone

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

β-Apo-8-carotenal472-66-256 % similar β-Cyclocitral432-25-746 % similar 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one14901-07-645 % similar β-Ionone79-77-645 % similar (2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one23726-92-344 % similar Hexane-2,5-dione110-13-443 % similar β-Carotene7235-40-736 % similar Tetramethyl acetyloctahydronaphthalenes54464-57-235 % similar

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

Same formula

Cyclohexyl ketone119-60-8 Theaspirane36431-72-8 Geranylacetone3796-70-1 6,10-Dimethyl-5,9-undecadien-2-one689-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook