3,5-Bis(tert-butyl)benzaldehyde

C15H22OCAS 17610-00-3218.34 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C15H22O
Molar mass
218.34 g/mol
Exact mass
218.1671 Da
logP
4.09Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17610-00-3
SMILES
CC(C)(C)C1=CC(=CC(=C1)C=O)C(C)(C)C
InChIKey
BRUITYMDHWNCIG-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-10H,1-6H3

Weigh it out

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

Work with 3,5-Bis(tert-butyl)benzaldehyde

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-Butylbenzaldehyde939-97-962 % similar 1,3,5-Tri-tert-butylbenzene1460-02-257 % similar 3,5-Bis(trifluoromethyl)benzaldehyde401-95-656 % similar 3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-053 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-650 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-747 % similar 3,5-Di-tert-butyltoluene15181-11-046 % similar 4-tert-Butyl-2-hydroxybenzaldehyde66232-34-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Heptylphenyl)ethanone37593-03-6 Nootkatone4674-50-4 (+)-Alpha-Cyperone473-08-5 1-Phenylnonan-1-one6008-36-2 Germacrone6902-91-6 4-(trans-4-Propylcyclohexyl)phenol81936-33-6

Elsewhere

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