chempirical

2,4,6-Triisopropyl-1,3,5-trioxane

C12H24O3CAS 7580-12-3216.32 g/mol

Open in Covalent MOL file
OOO
AcetalEther

Properties

Molecular formula
C12H24O3
Molar mass
216.32 g/mol
Exact mass
216.1725 Da
Melting point
64 °C
logP
3.00Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
7580-12-3
SMILES
CC(C)C1OC(C(C)C)OC(C(C)C)O1
InChIKey
XYIANCZIPATGDH-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3

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Names and synonyms

8 names
  • 1,3,5-Trioxane, 2,4,6-tris(1-methylethyl)-
  • s-Trioxane, 2,4,6-triisopropyl-
  • 2,4,6-Tris(1-methylethyl)-1,3,5-trioxane
  • Triisopropyl-s-trioxane
  • Sunsubly B
  • 2,4,6-Triisopropyltrioxane
  • NSC 67871
  • Sunsubly

Work with 2,4,6-Triisopropyl-1,3,5-trioxane

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

2,3-Dimethylbutane79-29-842 % similar Diisopropyl ether108-20-333 % similar Metaldehyde108-62-333 % similar Paraldehyde123-63-733 % similar cis-2,3-Epoxybutane1758-33-433 % similar trans-2,3-Dimethyloxirane21490-63-133 % similar 2,3-Epoxybutane3266-23-733 % similar 2,3,4-Trimethylpentane565-75-333 % similar

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

Same formula

tert-Butyl peroxy-2-ethylhexanoate3006-82-4 12-Hydroxydodecanoic acid505-95-3

Elsewhere

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