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Simethicone Impurity 16

CAT: 1299-RM-S091316-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S091316-01Size:10 mg
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CAS Number
1189-93-1
Synonyms
1,1,3,3,5,5-hexamethyltrisiloxane
Molecular Formula
C6H20O2Si3
Molecular Weight
208.48
Target Alternative Name
Simethicone
Product Name Synonym
1,1,3,3,5,5-hexamethyltrisiloxane

Chemical Information

1,1,3,3,5,5-Hexamethyltrisiloxane

See also: Polysiloxanes, di-Me, hydrogen-terminated (annotation moved to).

CAS Number1189-93-1
PubChem CID6327152
Molecular FormulaC6H18O2Si3
Molecular Weight206.46
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity102
SMILES
C[Si](C)O[Si](C)(C)O[Si](C)C
InChI
InChI=1S/C6H18O2Si3/c1-9(2)7-11(5,6)8-10(3)4/h1-6H3
InChIKey
YTEISYFNYGDBRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,3,3,5,5-Hexamethyltrisiloxane
CAS: 1189-93-1
CID: 6327152
Formula: C6H18O2Si3
MW: 206.46
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.46
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass206.06145942
Monoisotopic Mass206.06145942
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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