1,3-Di-tert-butylbenzene

C₁₄H₂₂CAS 1014-60-4190.33 g/mol

Open in Covalent MOL file

Properties

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

Identifiers

CAS number

1014-60-4

SMILES

CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

InChIKey

ILNDSSCEZZFNGE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(1,1-Dimethylethyl)benzenamine5369-19-765 % similar 3-tert-Butylphenol585-34-265 % similar 1,3,5-Tri-tert-butylbenzene1460-02-265 % similar tert-Butylbenzene98-06-663 % similar 2,6-Di-tert-butylnaphthalene3905-64-457 % similar 3,5-Di-tert-butyltoluene15181-11-050 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-050 % similar 4-tert-Butylcatechol98-29-348 % similar

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

Same formula

1,4-Di-tert-butylbenzene1012-72-2 Octylbenzene2189-60-8

Elsewhere

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