chempirical

Cinnamyl isovalerate

C14H18O2CAS 140-27-2218.30 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C14H18O2
Molar mass
218.30 g/mol
Exact mass
218.1307 Da
logP
3.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

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
140-27-2
SMILES
CC(C)CC(=O)OCC=Cc1ccccc1
InChIKey
FOCMOGKCPPTERB-UHFFFAOYSA-N
InChI
InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Butanoic acid, 3-methyl-, 3-phenyl-2-propen-1-yl ester
  • Isovaleric acid, cinnamyl ester
  • Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester
  • Cinnamyl alcohol, isovalerate
  • 3-Phenylallyl isovalerate
  • 3-Phenyl-2-propen-1-yl isovalerate
  • 3-Phenyl-2-propen-1-yl 3-methylbutanoate
  • NSC 46141

Work with Cinnamyl isovalerate

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 propionate103-56-067 % similar Cinnamyl butyrate103-61-763 % similar Cinnamyl isobutyrate103-59-361 % similar Benzyl isovalerate103-38-857 % similar Cinnamyl acetate103-54-857 % similar Phenylethyl isovalerate140-26-157 % similar Cinnamyl cinnamate122-69-054 % similar Isobutyl cinnamate122-67-850 % similar

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

Same formula

Amyl cinnamate3487-99-8 Cyclohexylphenylacetic acid3894-09-5 cis-3-Hexenyl phenylacetate42436-07-7 4-(4-Methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one54757-47-0 Isoamyl cinnamate7779-65-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook