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Simethicone Impurity 8

CAT: 1299-RM-S091308-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S091308-01Size:10 mg
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CAS Number
141-63-9
Synonyms
1,1,1,3,3,5,5,7,7,9,9,9-dodecamethylpentasiloxane
Molecular Formula
C12H36O4Si5
Molecular Weight
384.84
Target Alternative Name
Simethicone
Product Name Synonym
1,1,1,3,3,5,5,7,7,9,9,9-dodecamethylpentasiloxane

Chemical Information

Dodecamethylpentasiloxane

Dodecamethylpentasiloxane is an organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

CAS Number141-63-9
PubChem CID8853
IUPAC Namebis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane
Molecular FormulaC12H36O4Si5
Molecular Weight384.84
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity313
SMILES
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChI
InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3
InChIKey
FBZANXDWQAVSTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dodecamethylpentasiloxane
CAS: 141-63-9
CID: 8853
Formula: C12H36O4Si5
MW: 384.84
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.84
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass384.14599230
Monoisotopic Mass384.14599230
Topological Polar Surface Area36.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity313
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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