Pseudoionone
Properties
- Molecular formula
- C13H20O
- Molar mass
- 192.30 g/mol
- Exact mass
- 192.1514 Da
- Density
- 0.9003 g/mL (at 23 °C)
- Melting point
- below 25 °C
- Boiling point
- 144 °C
- logP
- 3.82Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 5
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
141-10-6SMILES
CC(=O)C=CC=C(C)CCC=C(C)CInChIKey
JXJIQCXXJGRKRJ-UHFFFAOYSA-NInChI
InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
- 6,10-Dimethyl-3,5,9-undecatrien-2-one
- Citrylideneacetone
- 2,6-Dimethylhendeca-2,6,8-trien-10-one
- ψ-Ionone
- 2,6-Dimethyl-2,6,8-undecatrien-10-one
- 2-Pseudoionone
- 2-Pseudojonon
- φ-Ionone
Reactions
Work with Pseudoionone
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
Lycopene502-65-863 % similar
Citral5392-40-556 % similar
6-Methylhepta-3,5-dien-2-one1604-28-055 % similar
Squalene111-02-450 % similar
Farnesylacetone1117-52-850 % similar
Geranylacetone3796-70-150 % similar
Teprenone6809-52-550 % similar
6,10-Dimethyl-5,9-undecadien-2-one689-67-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds