octakis({[2-(cyclohex-3-en-1-yl)ethyl]dimethylsilyl}oxy)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 153018
• Molecular Formular: C80H152O20Si16
• Molecular Mass: 1883.41888
• Monoisotopic Mass: 1880.71852178
• SMILES: C[Si](C)(CCC1CCC=CC1)O[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)O[Si](C)(C)CCC1CCC=CC1)O[Si](C)(C)CCC1CCC=CC1)O[Si](C)(C)CCC1CCC=CC1)O[Si](C)(C)CCC1CCC=CC1)O[Si](C)(C)CCC1CCC=CC1)O[Si](C)(C)CCC1CCC=CC1)O[Si](C)(C)CCC1CCC=CC1
• Canonical SMILES: C[Si](O[Si]12O[Si]3(O[Si](CCC4CCC=CC4)(C)C)O[Si]4(O[Si](O2)(O[Si](CCC2CCC=CC2)(C)C)O[Si]2(O[Si](O1)(O[Si](CCC1CCC=CC1)(C)C)O[Si](O3)(O[Si](CCC1CCC=CC1)(C)C)O[Si](O4)(O2)O[Si](CCC1CCC=CC1)(C)C)O[Si](CCC1CCC=CC1)(C)C)O[Si](CCC1CCC=CC1)(C)C)(CCC1CCC=CC1)C
• InChI: InChI=1S/C80H152O20Si16/c1-101(2,65-57-73-41-25-17-26-42-73)81-109-89-110(82-102(3,4)66-58-74-43-27-18-28-44-74)92-113(85-105(9,10)69-61-77-49-33-21-34-50-77)94-111(90-109,83-103(5,6)67-59-75-45-29-19-30-46-75)96-115(87-107(13,14)71-63-79-53-37-23-38-54-79)97-112(91-109,84-104(7,8)68-60-76-47-31-20-32-48-76)95-114(93-110,86-106(11,12)70-62-78-51-35-22-36-52-78)99-116(98-113,100-115)88-108(15,16)72-64-80-55-39-24-40-56-80/h17-25,27,29,31,33,35,37,39,73-80H,26,28,30,32,34,36,38,40-72H2,1-16H3
• InChIKey: IXHDIYBXYBCKQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octakis({[2-(cyclohex-3-en-1-yl)ethyl]dimethylsilyl}oxy)pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: octakis({[2-(cyclohex-3-en-1-yl)ethyl]dimethylsilyl}oxy)pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: Octacyclohexenylethyldimethylsilyloxy-POSS®; POSS®-Octacyclohexenyl)ethyldimethylsilyloxy substituted; PSS-Octa[2-(4-cyclohexenyl)ethyldimethylsilyloxy] substituted; POSS®-八环己烯基)乙基二甲基硅氧基取代; 八环己烯基乙基二甲基硅氧基-POSS®; 八[2-(4-环己烯基)乙基二甲基硅氧基]取代的 PSS

Database IDs

• CAS Number: 136849-03-1
• PubChem SID: 162247158
• PubChem CID: 71311579

CALCULATED PROPERTIES

• H Acceptors: 20
• H Donor: 0
• LogD (pH = 5.5): 28.2216
• LogD (pH = 7.4): 28.2216
• Log P: 28.2216
• Molar Refractivity: 417.8208 cm^3
• Polarizability: 197.6195 Å^3
• Polar Surface Area: 184.6 Å^2
• Rotatable Bonds: 40
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: chloroform: soluble; H2O: insoluble; THF: soluble; toluene: soluble
• Melting Point: 67-71 °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): C80H152O20Si16

DETAILS

Sigma Aldrich - 593974

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