chempirical

2,5-Dimethylbenzaldehyde

C9H10OCAS 5779-94-2134.18 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Boiling point
220 °C
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
5779-94-2
SMILES
Cc1ccc(C)c(C=O)c1
InChIKey
SMUVABOERCFKRW-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3

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

Names and synonyms

2 names
  • Benzaldehyde, 2,5-dimethyl-
  • Isoxylaldehyde

Work with 2,5-Dimethylbenzaldehyde

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

2,5-Dimethylstyrene2039-89-661 % similar 5-Methylsalicylaldehyde613-84-360 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-157 % similar 2,4,5-Trimethylbenzaldehyde5779-72-656 % similar 2-Methylbenzaldehyde529-20-454 % similar Diformylcresol7310-95-450 % similar 1,2,4-Trimethylbenzene95-63-650 % similar 2,4,6-Trimethylbenzaldehyde487-68-348 % similar

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

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

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