4-tert-Butylbenzaldehyde
Properties
- Molecular formula
- C11H14O
- Molar mass
- 162.23 g/mol
- Exact mass
- 162.1045 Da
- Density
- 0.9733 g/mL (at 20 °C)
- Melting point
- 245–246 °C
- Boiling point
- 91–92 °C
- logP
- 2.80Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
939-97-9SMILES
CC(C)(C)c1ccc(C=O)cc1InChIKey
OTXINXDGSUFPNU-UHFFFAOYSA-NInChI
InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzaldehyde, 4-(1,1-dimethylethyl)-
- Benzaldehyde, p-tert-butyl-
- 4-(1,1-Dimethylethyl)benzaldehyde
- p-tert-Butylbenzaldehyde
- Para-tert-Butylbenzaldehyde
Work with 4-tert-Butylbenzaldehyde
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
1,4-Di-tert-butylbenzene1012-72-257 % similar
4-tert-Butylstyrene1746-23-256 % similar
4-(Trifluoromethyl)benzaldehyde455-19-656 % similar
4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-850 % similar
4-(1,1-Dimethylethoxy)benzaldehyde57699-45-350 % similar
[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar
4-tert-Butyl-2-hydroxybenzaldehyde66232-34-650 % similar
4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds