Amylcinnamaldehyde

C₁₄H₁₈OCAS 122-40-7202.30 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₁₄H₁₈O
Molar mass: 202.30 g/mol
Exact mass: 202.1358 Da
Density: 0.9711 g/mL (at 20 °C)
Melting point: 80 °C
Boiling point: 174–175 °C (at 20 Torr)
logP: 3.85Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Identifiers

CAS number

122-40-7

SMILES

CCCCCC(C=O)=Cc1ccccc1

InChIKey

HMKKIXGYKWDQSV-UHFFFAOYSA-N

InChI

InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all

Heptanal, 2-(phenylmethylene)-
Cinnamaldehyde, α-pentyl-
Cinnamaldehyde, α-amyl-
2-(Phenylmethylene)heptanal
α-Amylcinnamaldehyde
α-Amyl-β-phenylacrolein
Flomine
α-Pentylcinnamaldehyde
Jasminaldehyde
2-Benzylideneheptanal
Pentylcinnamaldehyde
Amylcinnamic acid aldehyde
Amylcinnamic aldehyde
Jasminal
α-Amylcinnamal
NSC 6649
Jasmine aldehyde
Amyl cinnamal
2-Benzylidenheptanal

Work with Amylcinnamaldehyde

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

Hexyl cinnamaldehyde101-86-097 % similar Hexanophenone942-92-746 % similar α-Methylcinnamaldehyde101-39-346 % similar Heptanophenone1671-75-645 % similar Octanophenone1674-37-945 % similar Dodecanophenone1674-38-045 % similar Nonanophenone6008-36-245 % similar Decanophenone6048-82-445 % similar

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

Same formula

1-(4-Cyclohexylphenyl)ethanone18594-05-3 1-Ethynyl-4-(hexyloxy)benzene79887-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook