chempirical

Ethyl mesitylacetate

C13H18O2CAS 5460-08-2206.28 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C13H18O2
Molar mass
206.28 g/mol
Exact mass
206.1307 Da
logP
2.72Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5460-08-2
SMILES
CCOC(=O)CC1=C(C=C(C=C1C)C)C
InChIKey
OFZZPFNYAMIBNU-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-5-15-13(14)8-12-10(3)6-9(2)7-11(12)4/h6-7H,5,8H2,1-4H3

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Work with Ethyl mesitylacetate

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

Ethyl p-tolylacetate14062-19-257 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-857 % similar o-Tolylacetic acid ethyl ester40291-39-254 % similar 2,4,6-Trimethylbenzeneacetic acid4408-60-051 % similar Ethyl phenylacetate101-97-347 % similar 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-345 % similar Ethyl 4-pyridineacetate54401-85-345 % similar Ethyl 2-thienylacetate57382-97-545 % similar

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

Same formula

Isoamyl phenylacetate102-19-2 1-Adamantylacrylate121601-93-2 Phenylethyl isovalerate140-26-1 4′-Hydroxyheptanophenone14392-72-4 Ibuprofen15687-27-1 Tricyclodecenyl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4

Elsewhere

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