2,6,8-Trimethyl-4-nonanone
Properties
- Molecular formula
- C12H24O
- Molar mass
- 184.32 g/mol
- Exact mass
- 184.1827 Da
- Density
- 0.82 g/mL
- Boiling point
- 210–212 °C
- logP
- 3.67Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 6
Hazards
- H411 Toxic to aquatic life with long lasting effects38.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects12.9% of notifiers
Aggregated from 171 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P273, P391, P501
Identifiers
CAS number
123-18-2SMILES
CC(C)CC(=O)CC(C)CC(C)CInChIKey
GFWVDQCGGDBTBS-UHFFFAOYSA-NInChI
InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 4-Nonanone, 2,6,8-trimethyl-
- 2,4,8-Trimethylnonan-6-one
- NSC 66186
Work with 2,6,8-Trimethyl-4-nonanone
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
Isobutyl ketone108-83-868 % similar
2,8-Dimethylnonane-4,6-dione7307-08-656 % similar
5-Methylcyclohexane-1,3-dione4341-24-650 % similar
6-Methyl-2,4-heptanedione3002-23-147 % similar
3-Methylcyclopentanone1757-42-246 % similar
2,2,7-Trimethyl-3,5-octanedione69725-37-744 % similar
(RS)-3-Methylcyclohexanone591-24-243 % similar
5-Methyl-3-heptanone541-85-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds