chempirical

Skq1 bromide

C36H42BrO2PCAS 934826-68-3617.61 g/mol

Open in Covalent MOL file
OOP+Br−
AlkeneKetone

Properties

Molecular formula
C36H42BrO2P
Molar mass
617.61 g/mol
Exact mass
616.2106 Da
logP
4.91Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14

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
934826-68-3
SMILES
CC1=C(C(=O)C(=CC1=O)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
InChIKey
WYHFWTRUGAFNKW-UHFFFAOYSA-M
InChI
InChI=1S/C36H42O2P.BrH/c1-29-30(2)36(38)31(28-35(29)37)20-12-7-5-3-4-6-8-19-27-39(32-21-13-9-14-22-32,33-23-15-10-16-24-33)34-25-17-11-18-26-34;/h9-11,13-18,21-26,28H,3-8,12,19-20,27H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

1 names
  • SKQ-1 bromide

Work with Skq1 bromide

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

Tetramethylenebis[triphenylphosphonium] dibromide15546-42-645 % similar Heptyltriphenylphosphonium bromide13423-48-845 % similar Hexadecyltriphenylphosphonium bromide14866-43-445 % similar Dodecyltriphenylphosphonium bromide15510-55-145 % similar Tetradecyltriphenylphosphonium bromide25791-20-245 % similar Decyltriphenylphosphonium bromide32339-43-845 % similar Octyltriphenylphosphonium bromide42036-78-245 % similar Hexyltriphenylphosphonium bromide4762-26-945 % similar

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

Elsewhere

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