1-(1,1-Dimethylethyl)-3,5-dimethylbenzene
Properties
- Molecular formula
- C12H18
- Molar mass
- 162.28 g/mol
- Exact mass
- 162.1409 Da
- Density
- 0.87 g/mL
- Melting point
- −18 °C
- Boiling point
- 207 °C
- logP
- 3.60Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Identifiers
CAS number
98-19-1SMILES
Cc1cc(C)cc(C(C)(C)C)c1InChIKey
FZSPYHREEHYLCB-UHFFFAOYSA-NInChI
InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-
- m-Xylene, 5-tert-butyl-
- 5-tert-Butyl-m-xylene
- 5-tert-Butyl-1,3-dimethylbenzene
- 1,3-Dimethyl-5-tert-butylbenzene
- 3,5-Dimethyl-tert-butylbenzene
- 1-tert-Butyl-3,5-dimethylbenzene
- 5-(1,1-Dimethylethyl)-1,3-dimethylbenzene
- 1,3-Dimethyl-5-(1,1-dimethylethyl)benzene
- NSC 11016
- (tert-Butyl)-3,5-dimethylbenzene
Work with 1-(1,1-Dimethylethyl)-3,5-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,5-Di-tert-butyltoluene15181-11-089 % similar
1,3,5-Tri-tert-butylbenzene1460-02-261 % similar
4-tert-Butyltoluene98-51-155 % similar
Mesitylene108-67-853 % similar
3,5-Bis(2-cyanoprop-2-yl)toluene120511-72-048 % similar
Butylated hydroxytoluene128-37-046 % similar
3,5-Di-tert-butylphenol1138-52-946 % similar
1,3-Dibromo-5-tert-butylbenzene129316-09-246 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds