chempirical

Simethicone

C6H18O4Si3CAS 8050-81-5238.46 g/mol

Open in Covalent MOL file
OSiOSiOSiO
Silyl ether

Properties

Molecular formula
C6H18O4Si3
Molar mass
238.46 g/mol
Exact mass
238.0513 Da
Density
0.98 g/mL
Water solubility
insoluble
logP
1.57Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 89 ECHA notifiers. Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
8050-81-5
SMILES
CO[Si](C)(C)O[Si](C)(C)C.O=[Si]=O
InChIKey
AMTWCFIAVKBGOD-UHFFFAOYSA-N
InChI
InChI=1S/C6H18O2Si2.O2Si/c1-7-10(5,6)8-9(2,3)4;1-3-2/h1-6H3;

Weigh it out

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

Names and synonyms

19 names · show all
  • Xiameter AFE 0100 AF emul FG
  • Antifoam A
  • DC Antifoam A
  • Mylicon
  • Sentry simethicone GS
  • Simiticone
  • Aligest plus
  • KS 66
  • KS 66 (silicone)
  • Dow corning antifoam A
  • Dow antifoam A
  • SonoRx
  • Espumisan
  • Silfoam SE 2
  • Q 7-2587
  • Barcroft SIM-DC 100
  • Xiameter AFE 0100
  • Xiameter AFE 0100 antifoam emulsion food grade
  • Gas-X

Work with Simethicone

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

Octamethyltrisiloxane107-51-748 % similar Tetradecamethylhexasiloxane107-52-846 % similar Decamethyltetrasiloxane141-62-846 % similar Dodecamethylpentasiloxane141-63-946 % similar Dimethoxydimethylsilane1112-39-645 % similar Methoxytrimethylsilane1825-61-238 % similar 1,1,1,3,3,5,5-Heptamethyltrisiloxane2895-07-037 % similar Hexamethyldisiloxane107-46-035 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook