chempirical

2-(1,1-Dimethylpropyl)-9,10-anthracenedione

C19H18O2CAS 32588-54-8278.35 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C19H18O2
Molar mass
278.35 g/mol
Exact mass
278.1307 Da
Density
0.82 g/mL
Boiling point
245–273 °C
logP
4.15Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
32588-54-8
SMILES
CCC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
WUKWGUZTPMOXOW-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O2/c1-4-19(2,3)12-9-10-15-16(11-12)18(21)14-8-6-5-7-13(14)17(15)20/h5-11H,4H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 9,10-Anthracenedione, 2-(1,1-dimethylpropyl)-
  • Anthraquinone, 2-tert-pentyl-
  • 2-tert-Amylanthraquinone
  • 2-tert-Pentylanthraquinone
  • 2-(2-Methylbutan-2-yl)-9,10-dihydroanthracene-9,10-dione
  • 2-(1,1-Dimethylpropyl)anthraquinone

Work with 2-(1,1-Dimethylpropyl)-9,10-anthracenedione

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-tert-Butylanthraquinone84-47-964 % similar 2-Ethylanthraquinone84-51-551 % similar tert-Amylbenzene2049-95-849 % similar 2-Methylanthraquinone84-54-847 % similar 2,3-Dimethylanthraquinone6531-35-746 % similar 2-(Hydroxymethyl)anthraquinone17241-59-744 % similar Anthraquinone84-65-144 % similar 2-Aminoanthraquinone117-79-344 % similar

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

Same formula

2-Pentyl-9,10-anthracenedione13936-21-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook