chempirical

Cinnamyl isobutyrate

C13H16O2CAS 103-59-3204.27 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C13H16O2
Molar mass
204.27 g/mol
Exact mass
204.1150 Da
Boiling point
254 °C
logP
2.90Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
103-59-3
SMILES
CC(C)C(=O)OCC=Cc1ccccc1
InChIKey
KLKQSZIWHVEARN-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Propanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester
  • Isobutyric acid, cinnamyl ester
  • Propanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester
  • Cinnamyl alcohol, isobutyrate
  • 3-Phenyl-2-propen-1-yl isobutyrate
  • NSC 46133

Work with Cinnamyl isobutyrate

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

Cinnamyl isovalerate140-27-261 % similar Cinnamyl acetate103-54-861 % similar Cinnamyl propionate103-56-057 % similar Cinnamyl cinnamate122-69-056 % similar Benzyl isobutyrate103-28-655 % similar 2-Phenylethyl isobutyrate103-48-055 % similar Phenoxyethyl isobutyrate103-60-651 % similar Cinnamyl formate104-65-446 % similar

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

Same formula

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 Ethenyl 4-(1,1-dimethylethyl)benzoate15484-80-7 2-(3-Methoxyphenyl)cyclohexanone15547-89-4 (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol188399-48-6

Elsewhere

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