chempirical

3,5,5-Trimethylhexanoyl peroxide

C18H34O4CAS 3851-87-4314.47 g/mol

Open in Covalent MOL file
OOOO
Peroxide

Properties

Molecular formula
C18H34O4
Molar mass
314.47 g/mol
Exact mass
314.2457 Da
logP
4.91Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
3851-87-4
SMILES
CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChIKey
KFGFVPMRLOQXNB-UHFFFAOYSA-N
InChI
InChI=1S/C18H34O4/c1-13(11-17(3,4)5)9-15(19)21-22-16(20)10-14(2)12-18(6,7)8/h13-14H,9-12H2,1-8H3

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Names and synonyms

13 names · show all
  • Peroxide, bis(3,5,5-trimethyl-1-oxohexyl)
  • Peroxide, bis(3,5,5-trimethylhexanoyl)
  • Bis(3,5,5-trimethyl-1-oxohexyl) peroxide
  • Bis(3,5,5-trimethylhexanoyl) peroxide
  • USP 355M
  • Peroyl 355
  • Trigonox 36
  • Trigonox 36C75
  • Lup 219
  • Luperox 219
  • Peroyl 355-75 (S)
  • Peroyl 355S
  • TX 36

Work with 3,5,5-Trimethylhexanoyl peroxide

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

tert-Butyl peroxy-3,5,5-trimethylhexanoate13122-18-477 % similar 3,5,5-Trimethylhexanoic acid3302-10-161 % similar 3,5,5-Trimethylhexanoyl chloride36727-29-458 % similar 2,2,4,6,6-Pentamethylheptane13475-82-650 % similar Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-448 % similar 2,2,4-Trimethylhexane16747-26-545 % similar Ethyl 3-methylpentanoate5870-68-843 % similar β-Methyl-δ-valerolactone1121-84-242 % similar

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

Same formula

Dibutyl sebacate109-43-3 Octadecanedioic acid871-70-5

Elsewhere

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