chempirical

1,3,5-Tri-tert-butylbenzene

C18H30CAS 1460-02-2246.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H30
Molar mass
246.44 g/mol
Exact mass
246.2348 Da
Melting point
73 °C
Boiling point
115–130 °C (at 10 Torr)
logP
5.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1460-02-2
SMILES
CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIKey
GUFMBISUSZUUCB-UHFFFAOYSA-N
InChI
InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3

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

Names and synonyms

6 names
  • Benzene, 1,3,5-tris(1,1-dimethylethyl)-
  • Benzene, 1,3,5-tri-tert-butyl-
  • 1,3,5-Tris(1,1-dimethylethyl)benzene
  • 1,3,5-Tri-t-butylbenzene
  • 1,3,5-Tris(tert-butyl)benzene
  • 1,3,5-Tritert-butylbenzene

Work with 1,3,5-Tri-tert-butylbenzene

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

3,5-Di-tert-butyltoluene15181-11-071 % similar 3,5-Di-tert-butylphenol1138-52-967 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-967 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-167 % similar 1,3-Di-tert-butylbenzene1014-60-465 % similar 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-161 % similar 1,3-Dibromo-5-tert-butylbenzene129316-09-258 % similar 2,6-Di-tert-butylnaphthalene3905-64-453 % similar

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

Same formula

Dodecylbenzene123-01-3

Elsewhere

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