5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene

C₁₂H₁₇ICAS 5122-20-3288.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇I
Molar mass: 288.17 g/mol
Exact mass: 288.0375 Da
logP: 4.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5122-20-3

SMILES

CC1=CC(=CC(=C1I)C)C(C)(C)C

InChIKey

SCKWYPTZVFBKKW-UHFFFAOYSA-N

InChI

InChI=1S/C12H17I/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3

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Names and synonyms

1 names

5-tert-Butyl-2-iodo-1,3-dimethylbenzene

Work with 5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene

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

4-(tert-Butyl)-2,6-dimethylaniline42014-60-858 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-054 % similar 1,3,5-Tri-tert-butylbenzene1460-02-252 % similar Iodomesitylene4028-63-150 % similar 3,5-Di-tert-butyltoluene15181-11-048 % similar 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-148 % similar 4-tert-Butyl-2-methylphenol98-27-147 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-546 % similar

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

Elsewhere

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