chempirical

Capsaicin

C18H27NO3CAS 404-86-4305.42 g/mol

Open in Covalent MOL file
ONHOHO
AlkeneEtherPhenol

Properties

Molecular formula
C18H27NO3
Molar mass
305.42 g/mol
Exact mass
305.1991 Da
Melting point
65 °C
Boiling point
210–220 °C (at 0.01 Torr)
logP
4.63Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
9
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
404-86-4
SMILES
COc1cc(CN=C(O)CCCC/C=C/C(C)C)ccc1O
InChIKey
YKPUWZUDDOIDPM-SOFGYWHQSA-N
InChI
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

Weigh it out

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

Names and synonyms

28 names · show all
  • 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-
  • 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-
  • 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-
  • (6E)-N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide
  • Capsaicine
  • (E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide
  • Ratden PE 40
  • Zostrix
  • Capsin P 50
  • Mioton
  • trans-8-Methyl-N-vanillyl-6-nonenamide
  • Axsain
  • NSC 56353
  • Dolenon
  • N-(4-Oxy-3-methoxybenzyl)-8-methyl-6-nonenamide
  • Togarashi orenji
  • E-Capsaicin
  • ALGRX 4975
  • Capzasin-HP
  • NGX 4010
  • Adlea
  • Ovocap
  • Qutenza
  • Ausanil
  • trans-Capsaicin
  • Chilli orange
  • (E)-8-Methyl-N-vanillyl-6-nonenamide
  • Capsicin

Work with Capsaicin

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

Dihydrocapsaicin19408-84-571 % similar Nordihydrocapsaicin28789-35-771 % similar Nonivamide2444-46-466 % similar [6]-Shogaol555-66-845 % similar [8]-Shogaol36700-45-544 % similar [10]-Shogaol36752-54-244 % similar Dihydroferulic acid1135-23-542 % similar Homovanillic acid306-08-141 % similar

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

Same formula

Zucapsaicin25775-90-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia