1,3,5,7,9,11,13-heptacyclopentyl-15-{[dimethyl(prop-2-en-1-yl)silyl]oxy}pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 136725
• Molecular Formular: C40H74O13Si9
• Molecular Mass: 1015.77726
• Monoisotopic Mass: 1014.30528122
• SMILES: C[Si](C)(CC=C)O[Si]12O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O1)(O[Si](O5)(O[Si](O4)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
• Canonical SMILES: C=CC[Si](O[Si]12O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O1)(O[Si](O3)(O[Si](O4)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(C)C
• InChI: InChI=1S/C40H74O13Si9/c1-4-33-54(2,3)41-62-51-59(38-27-13-14-28-38)45-56(35-21-7-8-22-35)42-55(34-19-5-6-20-34)43-57(47-59,36-23-9-10-24-36)49-61(53-62,40-31-17-18-32-40)50-58(44-55,37-25-11-12-26-37)48-60(46-56,52-62)39-29-15-16-30-39/h4,34-40H,1,5-33H2,2-3H3
• InChIKey: VAFAOLQATIQPHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,13-heptacyclopentyl-15-{[dimethyl(prop-2-en-1-yl)silyl]oxy}pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: 1,3,5,7,9,11,13-heptacyclopentyl-15-{[dimethyl(prop-2-en-1-yl)silyl]oxy}pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: PSS-Allyldimethylsilyoxy-Heptacyclopentyl substituted; 1-(Allyldimethylsilyloxy)-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; Allyldimethylsilyloxy-POSS®; 1-(烯丙基二甲基硅氧基)-3,5,7,9,11,13,15-七环戊基五环[9.5.1.13,9.15,15.17,13]八硅氧烷; 烯丙基二甲基硅氧基-POSS®; PSS-烯丙基二甲基硅氧基庚环戊烷取代基

Database IDs

• CAS Number: 352538-78-4
• MDL Number: MFCD03486772
• PubChem SID: 162230995
• PubChem CID: 4575622

CALCULATED PROPERTIES

• H Acceptors: 13
• H Donor: 0
• LogD (pH = 5.5): 13.4462
• LogD (pH = 7.4): 13.4462
• Log P: 13.4462
• Molar Refractivity: 197.9305 cm^3
• Polarizability: 101.10709 Å^3
• Polar Surface Area: 119.99 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °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): C40H74O13Si9

DETAILS

Sigma Aldrich - 527319

Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.