3,7,14-tris({[(2-{bicyclo[2.2.1]hept-5-en-2-yl}ethyl)dimethylsilyl]oxy})-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane

• ChemBase ID: 140284
• Molecular Formular: C68H120O12Si10
• Molecular Mass: 1410.5282
• Monoisotopic Mass: 1408.6472446
• SMILES: C[Si](C)(CCC1CC2CC1C=C2)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)CCC1CC2CC1C=C2)C1CCCC1)(C1CCCC1)O[Si](C)(C)CCC1CC2CC1C=C2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
• Canonical SMILES: C[Si](O[Si]1(O[Si]2(O[Si](O[Si](CCC3CC4CC3C=C4)(C)C)(O[Si]3(O[Si](O2)(O[Si](O1)(O[Si](O[Si](CCC1CC2CC1C=C2)(C)C)(O3)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(CCC1CC2CC1C=C2)C
• InChI: InChI=1S/C68H120O12Si10/c1-81(2,44-41-59-50-53-35-38-56(59)47-53)69-84(62-21-7-8-22-62)72-87(65-27-13-14-28-65)74-85(63-23-9-10-24-63,70-82(3,4)45-42-60-51-54-36-39-57(60)48-54)76-89(67-31-17-18-32-67)77-86(64-25-11-12-26-64,71-83(5,6)46-43-61-52-55-37-40-58(61)49-55)75-88(73-84,66-29-15-16-30-66)79-90(78-87,80-89)68-33-19-20-34-68/h35-40,53-68H,7-34,41-52H2,1-6H3
• InChIKey: OMMGNBGSBUGDRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7,14-tris({[(2-{bicyclo[2.2.1]hept-5-en-2-yl}ethyl)dimethylsilyl]oxy})-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.1^5,^1^1]heptasiloxane
• IUPAC Traditional name: 3,7,14-tris({[(2-{bicyclo[2.2.1]hept-5-en-2-yl}ethyl)dimethylsilyl]oxy})-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.1^5,^1^1]heptasiloxane
• Synonyms: endo-3,7,14-Tris{dimethyl[2-(5-norbornen-2-yl)ethyl]silyloxy}-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane; Tris[dimethyl(norbornenylethyl)silyloxy]-POSS®; 内-3,7,14-三{二甲基[2-(5-降冰片烯-2-基)乙基]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; 四[二甲基(降冰片烯乙基)硅氧基]-POSS®

Database IDs

• CAS Number: 307496-41-9
• MDL Number: MFCD02093772
• PubChem SID: 162234528
• PubChem CID: 5148280

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 20.7465
• LogD (pH = 7.4): 20.7465
• Log P: 20.7465
• Molar Refractivity: 324.7434 cm^3
• Polarizability: 151.28754 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 314 °C(lit.)
• Flash Point: >110 °C; >230 °F
• Density: 1.042 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C68H120O12Si10

DETAILS

Sigma Aldrich - 523623

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