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214675-88-4 molecular structure
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octakis[2-(trichlorosilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

ChemBase ID: 151760
Molecular Formular: C16H32Cl24O12Si16
Molecular Mass: 1716.65808
Monoisotopic Mass: 1703.0726653
SMILES and InChIs

SMILES:
C(C[Si](Cl)(Cl)Cl)[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl
Canonical SMILES:
Cl[Si](CC[Si]12O[Si]3(CC[Si](Cl)(Cl)Cl)O[Si]4(O[Si](O2)(CC[Si](Cl)(Cl)Cl)O[Si]2(O[Si](O1)(CC[Si](Cl)(Cl)Cl)O[Si](O3)(CC[Si](Cl)(Cl)Cl)O[Si](O4)(O2)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)(Cl)Cl
InChI:
InChI=1S/C16H32Cl24O12Si16/c17-53(18,19)1-9-61-41-62(10-2-54(20,21)22)44-65(13-5-57(29,30)31)46-63(42-61,11-3-55(23,24)25)48-67(15-7-59(35,36)37)49-64(43-61,12-4-56(26,27)28)47-66(45-62,14-6-58(32,33)34)51-68(50-65,52-67)16-8-60(38,39)40/h1-16H2
InChIKey:
VRQHRTGJRVVVRD-UHFFFAOYSA-N

Cite this record

CBID:151760 http://www.chembase.cn/molecule-151760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octakis[2-(trichlorosilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
IUPAC Traditional name
octakis[2-(trichlorosilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
Synonyms
1,3,5,7,9,11,13,15-Octa(2-trichlorosilyl)ethyl)pentacyclo-[9.5.1.13,9.15,15.17,13]octasiloxane
Octa(trichlorosilylethyl)-POSS®
POSS®-Octa(trichlorosilylethyl) substituted
PSS-Octa(2-trichlorosilylethyl) substituted
1,3,5,7,9,11,13,15-八(2-三氯硅基)乙基)五环-[9.5.1.13,9.15,15.17,13]八硅氧烷
POSS®-八(三氯硅基乙基)取代
八(三氯硅基乙基)-POSS®
PSS-八(2-三氯甲硅烷基乙基)取代
CAS Number
214675-88-4
MDL Number
MFCD03427227
PubChem SID
24879877
162245910
PubChem CID
3267238

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
560588 external link Add to cart Please log in.
Data Source Data ID
PubChem 3267238 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 12  H Donor
LogD (pH = 5.5) 17.4808  LogD (pH = 7.4) 17.4808 
Log P 17.4808  Molar Refractivity 234.9072 cm3
Polarizability 129.13467 Å3 Polar Surface Area 110.76 Å2
Rotatable Bonds 24  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
acetonitrile: insoluble expand Show data source
chloroform: soluble expand Show data source
THF: soluble expand Show data source
Melting Point
>300 °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, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C16H32Cl24O12Si16 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 560588 external link
Packaging
5 g in glass bottle
Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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