3-({[heptakis({[(3-hydroxypropyl)dimethylsilyl]oxy})pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxan-1-yl]oxy}dimethylsilyl)propan-1-ol

• ChemBase ID: 153039
• Molecular Formular: C40H104O28Si16
• Molecular Mass: 1482.60496
• Monoisotopic Mass: 1480.3022372
• SMILES: C[Si](C)(CCCO)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)CCCO)O[Si](C)(C)CCCO)O[Si](C)(C)CCCO)O[Si](C)(C)CCCO)O[Si](C)(C)CCCO)O[Si](C)(C)CCCO)O[Si](C)(C)CCCO
• Canonical SMILES: OCCC[Si](O[Si]12O[Si]3(O[Si](CCCO)(C)C)O[Si]4(O[Si](O2)(O[Si](CCCO)(C)C)O[Si]2(O[Si](O1)(O[Si](CCCO)(C)C)O[Si](O3)(O[Si](CCCO)(C)C)O[Si](O4)(O2)O[Si](CCCO)(C)C)O[Si](CCCO)(C)C)O[Si](CCCO)(C)C)(C)C
• InChI: InChI=1S/C40H104O28Si16/c1-69(2,33-17-25-41)49-77-57-78(50-70(3,4)34-18-26-42)60-81(53-73(9,10)37-21-29-45)62-79(58-77,51-71(5,6)35-19-27-43)64-83(55-75(13,14)39-23-31-47)65-80(59-77,52-72(7,8)36-20-28-44)63-82(61-78,54-74(11,12)38-22-30-46)67-84(66-81,68-83)56-76(15,16)40-24-32-48/h41-48H,17-40H2,1-16H3
• InChIKey: DZNGQMDVHXKOCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[heptakis({[(3-hydroxypropyl)dimethylsilyl]oxy})pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxan-1-yl]oxy}dimethylsilyl)propan-1-ol
• IUPAC Traditional name: 3-({[heptakis({[(3-hydroxypropyl)dimethylsilyl]oxy})pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxan-1-yl]oxy}dimethylsilyl)propan-1-ol
• Synonyms: POSS®-Octahydroxypropyldimethylsilyl; PSS-Octa[(3-hydroxypropyl)dimethylsiloxy] substituted; POSS®-八羟基丙基二甲基硅基; PSS-八[(3-羟丙基)二甲基硅氧基]取代

Database IDs

• CAS Number: 288290-32-4
• PubChem SID: 162247179
• PubChem CID: 11240383

CALCULATED PROPERTIES

• Acid pKa: 15.078239
• H Acceptors: 28
• H Donor: 8
• LogD (pH = 5.5): 6.9928
• LogD (pH = 7.4): 6.9927998
• Log P: 6.9928
• Molar Refractivity: 254.7656 cm^3
• Polarizability: 137.61203 Å^3
• Polar Surface Area: 346.44 Å^2
• Rotatable Bonds: 40
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetone: soluble; chloroform: soluble; H2O: insoluble; hexane: soluble; methanol: soluble; methylene chloride: soluble; THF: soluble
• Melting Point: 89-107 °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): C40H104O28Si16

DETAILS

Sigma Aldrich - 594180

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