chempirical

Cinnamyl butyrate

C13H16O2CAS 103-61-7204.27 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C13H16O2
Molar mass
204.27 g/mol
Exact mass
204.1150 Da
Density
1.01–1.017 g/mL (at 25 °C)
Boiling point
149–150 °C (at NaN Torr)
logP
3.04Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
103-61-7
SMILES
CCCC(=O)OCC=Cc1ccccc1
InChIKey
YZYPQKZWNXANRB-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Butanoic acid, 3-phenyl-2-propen-1-yl ester
  • Butyric acid, cinnamyl ester
  • Butanoic acid, 3-phenyl-2-propenyl ester
  • Cinnamyl alcohol, butyrate
  • 3-Phenyl-2-propen-1-yl butyrate
  • Cinnamyl n-butyrate
  • Cinnamyl butanoate
  • NSC 30528
  • 3-Phenylprop-2-enyl butanoate

Work with Cinnamyl butyrate

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

Cinnamyl propionate103-56-073 % similar Cinnamyl isovalerate140-27-263 % similar 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-562 % similar Cinnamyl acetate103-54-859 % similar Benzyl butyrate103-37-756 % similar trans-2-Hexenyl butyrate53398-83-755 % similar 2-Phenylethyl butanoate103-52-655 % similar Cinnamyl cinnamate122-69-055 % similar

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

Same formula

Cinnamyl isobutyrate103-59-3 (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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