1,3,5,7,9,11,13-heptacyclopentyl-15-(oxiran-2-ylmethyl)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 137430
• Molecular Formular: C38H68O13Si8
• Molecular Mass: 957.62272
• Monoisotopic Mass: 956.28140449
• SMILES: C1CCC(C1)[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)CC1CO1
• Canonical SMILES: C1CCC(C1)[Si]12O[Si]3(CC4OC4)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
• InChI: InChI=1S/C38H68O13Si8/c1-2-16-32(15-1)53-40-52(30-31-29-39-31)41-54(33-17-3-4-18-33)45-56(43-53,35-21-7-8-22-35)49-59(38-27-13-14-28-38)50-57(44-53,36-23-9-10-24-36)46-55(42-52,34-19-5-6-20-34)48-58(47-54,51-59)37-25-11-12-26-37/h31-38H,1-30H2
• InChIKey: IDQZDTXGTHNXFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,13-heptacyclopentyl-15-(oxiran-2-ylmethyl)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-(oxiran-2-ylmethyl)pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1,3,5,7,9,11,13-Heptacyclopentyl-15-glycidylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; Glycidyl-POSS®; PSS-Glycidyl-Heptacyclopentyl substituted; 1,3,5,7,9,11,13-七环戊基-15-缩水甘油基五环癸烷[9.5.1.13,9.15,15.17,13]八硅氧烷; 缩水甘油基-POSS®; PSS-缩水甘油基-七环戊基取代

Database IDs

• CAS Number: 230316-12-8
• PubChem SID: 24871392; 162231693
• PubChem CID: 4582572

CALCULATED PROPERTIES

• H Acceptors: 13
• H Donor: 0
• LogD (pH = 5.5): 11.3016
• LogD (pH = 7.4): 11.3016
• Log P: 11.3016
• Molar Refractivity: 184.2989 cm^3
• Polarizability: 94.04993 Å^3
• Polar Surface Area: 123.29 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >350 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C38H68O13Si8

DETAILS

Sigma Aldrich - 477605

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