1-tert-Butyl-3-ethylbenzene

C₁₂H₁₈CAS 14411-56-4162.28 g/mol

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Properties

Molecular formula: C₁₂H₁₈
Molar mass: 162.28 g/mol
Exact mass: 162.1409 Da
logP: 3.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

14411-56-4

SMILES

CCC1=CC(=CC=C1)C(C)(C)C

InChIKey

MUJPTTGNHRHIPH-UHFFFAOYSA-N

InChI

InChI=1S/C12H18/c1-5-10-7-6-8-11(9-10)12(2,3)4/h6-9H,5H2,1-4H3

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Names and synonyms

1 names

1-t-Butyl-3-ethylbenzene

Work with 1-tert-Butyl-3-ethylbenzene

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

1,3-Di-tert-butylbenzene1014-60-460 % similar 1,3-Diethylbenzene141-93-560 % similar 1-Ethyl-3-methylbenzene620-14-450 % similar 1-Bromo-3-ethylbenzene2725-82-848 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-748 % similar 3-tert-Butylphenol585-34-248 % similar 3-Ethylaniline587-02-048 % similar 3-Ethylphenol620-17-748 % similar

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

Same formula

1,4-Diisopropylbenzene100-18-5 1,3,5-Triethylbenzene102-25-0 Hexylbenzene1077-16-3 1,2,4-Trivinylcyclohexane2855-27-8 1,5,9-Cyclododecatriene4904-61-4 Trans,trans,trans-1,5,9-cyclododecatriene676-22-2 Cyclododecatriene706-31-0 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-0

Elsewhere

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