chempirical

Hexyl cinnamaldehyde

C15H20OCAS 101-86-0216.32 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C15H20O
Molar mass
216.32 g/mol
Exact mass
216.1514 Da
Boiling point
305 °C
logP
4.24Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

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
101-86-0
SMILES
CCCCCCC(C=O)=Cc1ccccc1
InChIKey
GUUHFMWKWLOQMM-UHFFFAOYSA-N
InChI
InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Octanal, 2-(phenylmethylene)-
  • Cinnamaldehyde, α-hexyl-
  • 2-(Phenylmethylene)octanal
  • α-Hexylcinnamaldehyde
  • Hexyl cinnamic aldehyde
  • α-n-Hexyl-β-phenylacrolein
  • α-Hexylcinnamic aldehyde
  • 2-Hexyl-3-phenyl-2-propenal
  • 2-Hexylcinnamaldehyde
  • α-Hexylcinnamyl aldehyde
  • α-n-Hexylcinnamaldehyde
  • NSC 406799
  • NSC 46150
  • 2-Benzylideneoctanal
  • Hexyl cinnamal

Work with Hexyl cinnamaldehyde

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

Amylcinnamaldehyde122-40-797 % similar Heptanophenone1671-75-648 % similar Octanophenone1674-37-948 % similar Dodecanophenone1674-38-048 % similar 1-Phenylnonan-1-one6008-36-248 % similar Decanophenone6048-82-448 % similar Hexanophenone942-92-745 % similar α-Methylcinnamaldehyde101-39-345 % similar

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

Same formula

Curzerene17910-09-7 Atractylon6989-21-5

Elsewhere

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