chempirical

2-tert-Butylcyclohexanone

C10H18OCAS 1728-46-7154.25 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Boiling point
62.5 °C (at 4 Torr)
logP
2.79Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1728-46-7
SMILES
CC(C)(C)C1CCCCC1=O
InChIKey
ZRYDPLOWJSFQAE-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Cyclohexanone, 2-(1,1-dimethylethyl)-
  • Cyclohexanone, 2-tert-butyl-
  • 2-(1,1-Dimethylethyl)cyclohexanone
  • (±)-2-tert-Butylcyclohexanone
  • o-tert-Butylcyclohexanone
  • Verdone
  • 2-(tert-Butyl)cyclohexan-1-one
  • 2-tert-Butylcyclohexan-1-one

Work with 2-tert-Butylcyclohexanone

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

2-Methylcyclohexanone583-60-848 % similar 2-Acetylcyclohexanone874-23-744 % similar 2-Bromocyclohexanone822-85-543 % similar 2-Hexylcyclopentanone13074-65-242 % similar 2-Heptylcyclopentanone137-03-142 % similar 2-Cyclohexylcyclohexanone90-42-642 % similar 2-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-742 % similar 2-Methylcyclopentanone1120-72-540 % similar

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

Same formula

P-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citronellal106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook