chempirical

Ethenyl 4-(1,1-dimethylethyl)benzoate

C13H16O2CAS 15484-80-7204.27 g/mol

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OO
AlkeneEster

Properties

Molecular formula
C13H16O2
Molar mass
204.27 g/mol
Exact mass
204.1150 Da
Density
1.0029 g/mL (at 20 °C)
Boiling point
100–105 °C (at 0.5 Torr)
logP
3.28Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
15484-80-7
SMILES
C=COC(=O)c1ccc(C(C)(C)C)cc1
InChIKey
ZLHVSEPPILCZHH-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3

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

Names and synonyms

5 names
  • Benzoic acid, 4-(1,1-dimethylethyl)-, ethenyl ester
  • Benzoic acid, p-tert-butyl-, vinyl ester
  • Vinyl 4-(1,1-dimethylethyl)benzoate
  • Vinyl p-tert-butylbenzoate
  • Vinyl 4-tert-butylbenzoate

Work with Ethenyl 4-(1,1-dimethylethyl)benzoate

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

Methyl 4-tert-butylbenzoate26537-19-960 % similar Vinyl benzoate769-78-859 % similar Ethyl 4-(1,1-dimethylethyl)benzoate5406-57-555 % similar 4′-tert-Butylacetophenone943-27-147 % similar 4-tert-Butylbenzoyl chloride1710-98-146 % similar Para-tert-butylbenzoic acid98-73-746 % similar 4-tert-Butylbenzophenone22679-54-545 % similar 1-[4-(1,1-Dimethylethyl)phenyl]-1-propanone71209-71-744 % similar

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

Same formula

Cinnamyl isobutyrate103-59-3 Cinnamyl butyrate103-61-7 (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene110567-21-0 1-Phenylcyclohexanecarboxylic acid1135-67-7 4-tert-Butylcinnamic acid1208-65-7 Isobutyl cinnamate122-67-8 2-(3-Methoxyphenyl)cyclohexanone15547-89-4 (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol188399-48-6

Elsewhere

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