chempirical

1-[(1-Hydroperoxycyclohexyl)dioxy]cyclohexanol

C12H22O5CAS 78-18-2246.30 g/mol

Open in Covalent MOL file
HOOOOOH
AlcoholPeroxide

Properties

Molecular formula
C12H22O5
Molar mass
246.30 g/mol
Exact mass
246.1467 Da
Melting point
76–77 °C
logP
2.74Crippen estimate
Polar surface area
68.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
78-18-2
SMILES
OOC1(OOC2(O)CCCCC2)CCCCC1
InChIKey
UICXTANXZJJIBC-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexanol, 1-[(1-hydroperoxycyclohexyl)dioxy]-
  • Peroxide, 1-hydroperoxycyclohexyl 1-hydroxycyclohexyl
  • 1-Hydroxy-1′-hydroperoxydicyclohexyl peroxide
  • Perhexa P
  • 1-Hydroperoxycyclohexyl 1-hydroxycyclohexyl peroxide

Work with 1-[(1-Hydroperoxycyclohexyl)dioxy]cyclohexanol

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

1,1-Bis(tert-butylperoxy)cyclohexane3006-86-837 % similar

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

Same formula

Cyclohexanone peroxide12262-58-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook