chempirical

Musk ketone

C14H18N2O5CAS 81-14-1294.31 g/mol

Open in Covalent MOL file
ON+OO−N+OO−
KetoneNitro

Properties

Molecular formula
C14H18N2O5
Molar mass
294.31 g/mol
Exact mass
294.1216 Da
logP
3.62Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
81-14-1
SMILES
CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C
InChIKey
WXCMHFPAUCOJIG-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-
  • Acetophenone, 4′-tert-butyl-2′,6′-dimethyl-3′,5′-dinitro-
  • 1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone
  • 4-Aceto-3,5-dimethyl-2,6-dinitro-tert-butylbenzene
  • 4′-tert-Butyl-2′,6′-dimethyl-3′,5′-dinitroacetophenone
  • 3,5-Dinitro-4-tert-butyl-2,6-dimethylacetophenone
  • 3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone
  • 2,6 Dimethyl-4-tert-butyl-3,5-dinitroacetophenone
  • 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone
  • 2,6-Dimethyl-3,5-dinitro-4-tert-butyl acetophenone
  • NSC 15339
  • 1-tert-Butyl-3,5-dimethyl-2,6-dinitro-4-acetylbenzene
  • 1-(4-(tert-Butyl)-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one
  • 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
  • 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethan-1-one

Work with Musk ketone

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

Musk tibetene145-39-166 % similar Musk xylene81-15-266 % similar 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-943 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-443 % similar Musk ambrette83-66-937 % similar 1-(3,5-Dinitrophenyl)ethanone14401-75-337 % similar 1,3,5-Tris(1,1-dimethylethyl)-2-nitrobenzene4074-25-337 % similar 1-(4-Methyl-3-nitrophenyl)ethanone5333-27-735 % similar

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

Same formula

N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-alanine16012-70-7 6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one179688-29-0 Aspartame22839-47-0

Elsewhere

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