2,6-Dimethylcyclohexanone
Properties
- Molecular formula
- C8H14O
- Molar mass
- 126.20 g/mol
- Exact mass
- 126.1045 Da
- Density
- 0.914 g/mL (at 20 °C)
- Melting point
- 171 °C
- Boiling point
- 175 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
2816-57-1SMILES
CC1CCCC(C)C1=OInChIKey
AILVYPLQKCQNJC-UHFFFAOYSA-NInChI
InChI=1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Cyclohexanone, 2,6-dimethyl-
- 2,6-Dimethyl-1-cyclohexanone
- NSC 5291
Work with 2,6-Dimethylcyclohexanone
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-Methylcyclopentanone1120-72-550 % similar
2-Methylcyclohexanone583-60-848 % similar
2,2,6-Trimethylcyclohexanone2408-37-941 % similar
2-Methylhexanoic acid4536-23-641 % similar
2-Methylheptanoic acid1188-02-940 % similar
Cyclohexyl ketone119-60-839 % similar
3,5-Dimethyl-1,2-cyclopentanedione13494-07-039 % similar
Dicyclopropyl ketone1121-37-538 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.