1,4-Di-tert-butylbenzene

C₁₄H₂₂CAS 1012-72-2190.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₂
Molar mass: 190.33 g/mol
Exact mass: 190.1722 Da
Melting point: 79.5 °C
Boiling point: 238 °C
logP: 4.28Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

1012-72-2

SMILES

CC(C)(C)c1ccc(C(C)(C)C)cc1

InChIKey

OOWNNCMFKFBNOF-UHFFFAOYSA-N

InChI

InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3

Weigh it out

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

Names and synonyms

9 names

Benzene, 1,4-bis(1,1-dimethylethyl)-
Benzene, p-di-tert-butyl-
1,4-Bis(1,1-dimethylethyl)benzene
p-Di-tert-butylbenzene
p-Bis(tert-butyl)benzene
NSC 6342
1,4-Bis(tert-butyl)benzene
1,4-Di-t-butylbenzene
1,4-Ditert-butylbenzene

Work with 1,4-Di-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-880 % similar 4-tert-Butyltoluene98-51-171 % similar tert-Butylbenzene98-06-669 % similar 4-tert-Butylthiophenol2396-68-167 % similar 1-tert-Butyl-4-iodobenzene35779-04-567 % similar 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-367 % similar 1-Bromo-4-tert-butylbenzene3972-65-467 % similar 4-tert-Butylaniline769-92-667 % similar

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

Same formula

1,3-Di-tert-butylbenzene1014-60-4 Octylbenzene2189-60-8

Elsewhere

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