1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris[(ethenyldimethylsilyl)oxy]tricyclo[7.3.3.15,11]heptasiloxane

• ChemBase ID: 138369
• Molecular Formular: C47H90O12Si10
• Molecular Mass: 1128.0653
• Monoisotopic Mass: 1126.41249364
• SMILES: C[Si](C)(C=C)O[Si]1(O[Si]2(O[Si]3(O[Si](O1)(O[Si](O[Si](O3)(O[Si](O2)(C1CCCC1)O[Si](C)(C)C=C)C1CCCC1)(C1CCCC1)O[Si](C)(C)C=C)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
• Canonical SMILES: C=C[Si](O[Si]1(O[Si]2(O[Si]3(O[Si](O1)(O[Si](O[Si](C=C)(C)C)(O[Si](O3)(O[Si](O2)(O[Si](C=C)(C)C)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(C)C
• InChI: InChI=1S/C47H90O12Si10/c1-10-60(4,5)48-63(41-27-13-14-28-41)51-66(44-33-19-20-34-44)53-64(42-29-15-16-30-42,49-61(6,7)11-2)55-68(46-37-23-24-38-46)56-65(43-31-17-18-32-43,50-62(8,9)12-3)54-67(52-63,45-35-21-22-36-45)58-69(57-66,59-68)47-39-25-26-40-47/h10-12,41-47H,1-3,13-40H2,4-9H3
• InChIKey: HDLXDTOWSPLCLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris[(ethenyldimethylsilyl)oxy]tricyclo[7.3.3.1^5,^1^1]heptasiloxane
• IUPAC Traditional name: 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris[(ethenyldimethylsilyl)oxy]tricyclo[7.3.3.1^5,^1^1]heptasiloxane
• Synonyms: Tris(dimethylvinylsilyloxy)-POSS®; endo-3,7,14-Tris(dimethylvinylsilyloxy)-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane; 三(二甲基乙烯基硅氧基)-POSS®; 内-3,7,14-三(二甲基乙烯基硅氧基)-1,3,5,7,9,11,14-七环戊基三环[7.3.3.15,11]七硅氧烷

Database IDs

• CAS Number: 312693-39-3
• MDL Number: MFCD02093773
• PubChem SID: 162232625; 24874354
• PubChem CID: 4079505

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 17.1972
• LogD (pH = 7.4): 17.1972
• Log P: 17.1972
• Molar Refractivity: 233.2326 cm^3
• Polarizability: 117.06552 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >350 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Empirical Formula (Hill Notation): C47H90O12Si10

DETAILS

Sigma Aldrich - 523658

Packaging
1, 5 g in glass bottle
Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.