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546-45-2 molecular structure
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2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane

ChemBase ID: 152297
Molecular Formular: C21H24O3Si3
Molecular Mass: 408.66996
Monoisotopic Mass: 408.10332422
SMILES and InChIs

SMILES:
C[Si]1(O[Si](O[Si](O1)(C)c1ccccc1)(C)c1ccccc1)c1ccccc1
Canonical SMILES:
C[Si]1(O[Si](C)(O[Si](O1)(C)c1ccccc1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C21H24O3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKey:
HAURRGANAANPSQ-UHFFFAOYSA-N

Cite this record

CBID:152297 http://www.chembase.cn/molecule-152297.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
IUPAC Traditional name
2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane
Synonyms
2,4,6-Trimethyl-2,4,6-triphenylcyclotrisiloxane
2,4,6-三甲基-2,4,6-三苯基环三硅氧烷
CAS Number
546-45-2
EC Number
208-900-7
MDL Number
MFCD00053565
Beilstein Number
2954104
PubChem SID
162246442
PubChem CID
18901

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
92790 external link Add to cart Please log in.
Data Source Data ID
PubChem 18901 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9353  LogD (pH = 7.4) 4.9353 
Log P 4.9353  Molar Refractivity 98.3106 cm3
Polarizability 45.170765 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.102 g/mL at 20 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Grade
technical expand Show data source
Impurities
~15% tetramer (2,4,6,8-tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane) expand Show data source
Empirical Formula (Hill Notation)
C21H24O3Si3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 92790 external link
Packaging
5 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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