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octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
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ChemBase ID:
144755
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Molecular Formular:
C32H80Cl8O12Si16
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Molecular Mass:
1389.9624
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Monoisotopic Mass:
1383.94662395
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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
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Cite this record
CBID:144755 http://www.chembase.cn/molecule-144755.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
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IUPAC Traditional name
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octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
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Synonyms
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1,3,5,7,9,11,13,15-Octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane
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PSS-Octakis[2-(Chlorodimethylsilyl)ethyl] substituted
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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
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PSS-八[2-(氯二甲基硅烷基)乙基]取代
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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12
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H Donor
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0
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LogD (pH = 5.5)
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16.2664
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LogD (pH = 7.4)
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16.2664
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Log P
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16.2664
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Molar Refractivity
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232.5168 cm3
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Polarizability
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126.71369 Å3
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Polar Surface Area
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110.76 Å2
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Rotatable Bonds
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24
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent