chempirical

2,2-Dimethyl-1-phenyl-1-propanone

C11H14OCAS 938-16-9162.23 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C11H14O
Molar mass
162.23 g/mol
Exact mass
162.1045 Da
Density
1.016 g/mL (at 20 °C)
Boiling point
220 °C
logP
2.92Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
938-16-9
SMILES
CC(C)(C)C(=O)c1ccccc1
InChIKey
OECPUBRNDKXFDX-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanone, 2,2-dimethyl-1-phenyl-
  • Pivalophenone
  • tert-Butyl phenyl ketone
  • Phenyl tert-butyl ketone
  • 2,2-Dimethylpropiophenone
  • α,α-Dimethylpropiophenone
  • 2,2,2-Trimethylacetophenone
  • 1-Phenyl-2,2-dimethyl-1-propanone
  • α,α,α-Trimethylacetophenone

Work with 2,2-Dimethyl-1-phenyl-1-propanone

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-Bromoisobutyrophenone10409-54-861 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-561 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-756 % similar 2,2-Dimethoxy-2-phenylacetophenone24650-42-850 % similar Acetophenone98-86-250 % similar 1-Hydroxycyclohexyl phenyl ketone947-19-345 % similar 4-tert-Butylbenzophenone22679-54-544 % similar tert-Butyl peroxybenzoate614-45-942 % similar

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

Same formula

Valerophenone1009-14-9 4-Butylbenzaldehyde1200-14-2 2′,4′,6′-Trimethylacetophenone1667-01-2 1-(2,4,5-Trimethylphenyl)ethanone2040-07-5 Allyl alcohol-styrene copolymer25119-62-4 3-Methyl-1-phenyl-2-butanone2893-05-2 1-(4-Propylphenyl)ethanone2932-65-2 4-Isobutylbenzaldehyde40150-98-9

Elsewhere

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