chempirical

Tetralin hydroperoxide

C10H12O2CAS 771-29-9164.20 g/mol

Open in Covalent MOL file
OHO
Peroxide

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
logP
2.55Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
771-29-9
SMILES
C1CC(C2=CC=CC=C2C1)OO
InChIKey
YWBMNCRJFZGXJY-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Hydroperoxy-1,2,3,4-tetrahydronaphthalene
  • Tetralinhydroperoxid
  • 1,2,3,4-Tetrahydro-1-naphthyl hydroperoxide
  • Tetralinehydroperoxyde
  • Tetralinhydroperoxid [german]
  • Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenyl
  • Tetralinehydroperoxyde [dutch]
  • Hydroperoxyde de tetraline
  • Idroperossido di tetralina
  • Hydroperoxyde de tetraline [French]
  • Idroperossido di tetralina [Italian]
  • Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl-
  • 1,2,3,4-Tetrahydro-1-naphthalenyl hydroperoxide
  • Tetralin peroxide
  • Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl
  • 1,2,3,4-Tetrahydro-1-hydroperoxynaphthalene

Work with Tetralin hydroperoxide

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

1,2,3,4-Tetrahydro-1-naphthylamine2217-40-555 % similar (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-255 % similar (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-055 % similar 1-Tetralol529-33-955 % similar 1-Chloro-1,2,3,4-tetrahydronaphthalene113110-47-750 % similar 1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride49800-23-950 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-346 % similar (-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-246 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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