1-[(1R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-11-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-7-[({2-[(1R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}dimethylsilyl)oxy]-5-[({2-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}dimethylsilyl)oxy]-5,7-dicyclohexyl-3,3,9,9-tetramethyl-4,6,8-trioxa-3,5,7,9-tetrasilaundecane

• ChemBase ID: 144718
• Molecular Formular: C56H98O5Si6
• Molecular Mass: 1019.88732
• Monoisotopic Mass: 1018.60298543
• SMILES: C[Si](C)(CCC1C[C@H]2C[C@@H]1C=C2)O[Si](C1CCCCC1)(O[Si](C)(C)CCC1C[C@@H]2C[C@H]1C=C2)O[Si](C1CCCCC1)(O[Si](C)(C)CCC1C[C@H]2C[C@@H]1C=C2)O[Si](C)(C)CCC1C[C@@H]2C[C@H]1C=C2
• Canonical SMILES: C[Si](O[Si](C1CCCCC1)(O[Si](CCC1C[C@H]2C[C@@H]1C=C2)(C)C)O[Si](C1CCCCC1)(O[Si](CCC1C[C@@H]2C[C@H]1C=C2)(C)C)O[Si](CCC1C[C@H]2C[C@@H]1C=C2)(C)C)(CCC1C[C@@H]2C[C@H]1C=C2)C
• InChI: InChI=1S/C56H98O5Si6/c1-62(2,31-27-51-39-43-19-23-47(51)35-43)57-66(55-15-11-9-12-16-55,58-63(3,4)32-28-52-40-44-20-24-48(52)36-44)61-67(56-17-13-10-14-18-56,59-64(5,6)33-29-53-41-45-21-25-49(53)37-45)60-65(7,8)34-30-54-42-46-22-26-50(54)38-46/h19-26,43-56H,9-18,27-42H2,1-8H3/t43-,44+,45-,46+,47+,48-,49+,50-,51?,52?,53?,54?,66?,67?
• InChIKey: AZONJEFONUBVGD-ZYBJZBRASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-11-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-7-[({2-[(1R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}dimethylsilyl)oxy]-5-[({2-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}dimethylsilyl)oxy]-5,7-dicyclohexyl-3,3,9,9-tetramethyl-4,6,8-trioxa-3,5,7,9-tetrasilaundecane
• IUPAC Traditional name: 1-[(1R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]-11-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-7-[({2-[(1R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}dimethylsilyl)oxy]-5-[({2-[(1S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}dimethylsilyl)oxy]-5,7-dicyclohexyl-3,3,9,9-tetramethyl-4,6,8-trioxa-3,5,7,9-tetrasilaundecane
• Synonyms: 1,3-Dicyclohexyl-1,1,3,3-tetrakis[(norbornen-2-yl)ethyldimethylsilyloxy]disiloxane; 1,3-二环己基-1,1,3,3-四[(降冰片烯-2-基)乙基二甲基硅氧基]二甲硅醚

Database IDs

• CAS Number: 314727-33-8
• PubChem SID: 162238930; 24874617
• PubChem CID: 71311116

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 16.7836
• LogD (pH = 7.4): 16.7836
• Log P: 16.7836
• Molar Refractivity: 266.1096 cm^3
• Polarizability: 116.673416 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: oil (Yellow-orange)
• Boiling Point: 315 °C(lit.)
• Density: 1.015 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4960(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Empirical Formula (Hill Notation): C56H98O5Si6

DETAILS

Sigma Aldrich - 527378

Packaging
1, 5 mL in glass bottle