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243146-51-2 molecular structure
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octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

ChemBase ID: 144755
Molecular Formular: C32H80Cl8O12Si16
Molecular Mass: 1389.9624
Monoisotopic Mass: 1383.94662395
SMILES and InChIs

SMILES:
C[Si](C)(CC[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](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)Cl
Canonical SMILES:
C[Si](CC[Si]12O[Si]3(CC[Si](Cl)(C)C)O[Si]4(O[Si](O2)(CC[Si](Cl)(C)C)O[Si]2(O[Si](O1)(CC[Si](Cl)(C)C)O[Si](O3)(CC[Si](Cl)(C)C)O[Si](O4)(O2)CC[Si](Cl)(C)C)CC[Si](Cl)(C)C)CC[Si](Cl)(C)C)(Cl)C
InChI:
InChI=1S/C32H80Cl8O12Si16/c1-53(2,33)17-25-61-41-62(26-18-54(3,4)34)44-65(29-21-57(9,10)37)46-63(42-61,27-19-55(5,6)35)48-67(31-23-59(13,14)39)49-64(43-61,28-20-56(7,8)36)47-66(45-62,30-22-58(11,12)38)51-68(50-65,52-67)32-24-60(15,16)40/h17-32H2,1-16H3
InChIKey:
NNOFGJDKKSMHOW-UHFFFAOYSA-N

Cite this record

CBID:144755 http://www.chembase.cn/molecule-144755.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
IUPAC Traditional name
octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
Synonyms
1,3,5,7,9,11,13,15-Octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
PSS-Octakis[2-(Chlorodimethylsilyl)ethyl] substituted
1,3,5,7,9,11,13,15-八[2-(氯二甲基硅基)乙基]五环[9.5.1.13,9.15,15.17,13]八硅氧烷
PSS-八[2-(氯二甲基硅烷基)乙基]取代
CAS Number
243146-51-2
MDL Number
MFCD03427004
PubChem SID
162238967
24873969
PubChem CID
5056609

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
517712 external link Add to cart Please log in.
Data Source Data ID
PubChem 5056609 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 12  H Donor
LogD (pH = 5.5) 16.2664  LogD (pH = 7.4) 16.2664 
Log P 16.2664  Molar Refractivity 232.5168 cm3
Polarizability 126.71369 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)
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)
C32H80Cl8O12Si16 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 517712 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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