chempirical

Stearyl gallate

C25H42O5CAS 10361-12-3422.61 g/mol

Open in Covalent MOL file
OOOHOHOH
EsterPhenol

Properties

Molecular formula
C25H42O5
Molar mass
422.61 g/mol
Exact mass
422.3032 Da
logP
7.22Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
18

Identifiers

CAS number
10361-12-3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChIKey
BRNPAEUKZMBRLQ-UHFFFAOYSA-N
InChI
InChI=1S/C25H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(29)21-19-22(26)24(28)23(27)20-21/h19-20,26-28H,2-18H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Octadecyl gallate

Work with Stearyl gallate

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

Octyl gallate1034-01-1100 % similar Dodecyl gallate1166-52-5100 % similar Cetyl gallate5026-65-3100 % similar Butyl gallate1083-41-689 % similar Propyl gallate121-79-978 % similar Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate67845-93-668 % similar Ethyl gallate831-61-864 % similar Hexyl 4-hydroxybenzoate1083-27-862 % similar

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

Same formula

Methyl cholate1448-36-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook