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Simethicone Impurity 9

CAT: 1299-RM-S091309-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S091309-01Size:10 mg
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CAS Number
107-52-8
Synonyms
1,1,1,3,3,5,5,7,7,9,9,11,11,11-tetradecamethylhexasiloxane
Molecular Formula
C14H42O5Si6
Molecular Weight
458.99
Target Alternative Name
Simethicone
Product Name Synonym
1,1,1,3,3,5,5,7,7,9,9,11,11,11-tetradecamethylhexasiloxane

Chemical Information

Tetradecamethylhexasiloxane
CAS Number107-52-8
PubChem CID7875
IUPAC Name[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
Molecular FormulaC14H42O5Si6
Molecular Weight458.99
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity400
SMILES
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChI
InChI=1S/C14H42O5Si6/c1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6/h1-14H3
InChIKey
ADANNTOYRVPQLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetradecamethylhexasiloxane
CAS: 107-52-8
CID: 7875
Formula: C14H42O5Si6
MW: 458.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.99
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass458.16478364
Monoisotopic Mass458.16478364
Topological Polar Surface Area46.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity400
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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