chempirical

3,5-Di-tert-butyltoluene

C15H24CAS 15181-11-0204.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C15H24
Molar mass
204.36 g/mol
Exact mass
204.1878 Da
Melting point
31–31.9 °C
Boiling point
234–237 °C
logP
4.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
15181-11-0
SMILES
Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIKey
WIXDSJRJFDWTNY-UHFFFAOYSA-N
InChI
InChI=1S/C15H24/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h8-10H,1-7H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1,3-bis(1,1-dimethylethyl)-5-methyl-
  • Toluene, 3,5-di-tert-butyl-
  • 1,3-Bis(1,1-dimethylethyl)-5-methylbenzene
  • 1-Methyl-3,5-di-tert-butylbenzene
  • 1,3-Di-tert-butyl-5-methylbenzene
  • 3,5-Bis(tert-butyl)toluene
  • 1,3-Ditert-butyl-5-methylbenzene

Work with 3,5-Di-tert-butyltoluene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-189 % similar 1,3,5-Tri-tert-butylbenzene1460-02-271 % similar 4-tert-Butyltoluene98-51-155 % similar 3,5-Bis(2-cyanoprop-2-yl)toluene120511-72-054 % similar 3,5-Di-tert-butylphenol1138-52-952 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-952 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-152 % similar 1,3-Di-tert-butylbenzene1014-60-450 % similar

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

Same formula

n-Nonylbenzene1081-77-2 (-)-Isolongifolene1135-66-6 β-Farnesene18794-84-8 (-)-Cedrene469-61-4 Longifolene475-20-7 γ-Bisabolene495-62-5 (-)-β-Elemene515-13-9 Humulene6753-98-6

Elsewhere

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