1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris[(dimethylsilyl)oxy]tricyclo[7.3.3.15,11]heptasiloxane

• ChemBase ID: 138096
• Molecular Formular: C41H84O12Si10
• Molecular Mass: 1049.95346
• Monoisotopic Mass: 1048.36554345
• SMILES: C[SiH](C)O[Si]1(O[Si]2(O[Si]3(O[Si](O1)(O[Si](O[Si](O3)(O[Si](O2)(C1CCCC1)O[SiH](C)C)C1CCCC1)(C1CCCC1)O[SiH](C)C)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
• Canonical SMILES: C[SiH](O[Si]1(O[Si]2(O[Si]3(O[Si](O1)(O[Si](O[SiH](C)C)(O[Si](O3)(O[Si](O2)(O[SiH](C)C)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C
• InChI: InChI=1S/C41H84O12Si10/c1-54(2)42-57(35-21-7-8-22-35)45-60(38-27-13-14-28-38)47-58(43-55(3)4,36-23-9-10-24-36)49-62(40-31-17-18-32-40)50-59(44-56(5)6,37-25-11-12-26-37)48-61(46-57,39-29-15-16-30-39)52-63(51-60,53-62)41-33-19-20-34-41/h35-41,54-56H,7-34H2,1-6H3
• InChIKey: BACQGVYLIUAWHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris[(dimethylsilyl)oxy]tricyclo[7.3.3.1^5,^1^1]heptasiloxane
• IUPAC Traditional name: 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris[(dimethylsilyl)oxy]tricyclo[7.3.3.1^5,^1^1]heptasiloxane
• Synonyms: endo-3,7,14-Tris(dimethylsilyloxy)-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane; 内-3,7,14-三(二甲基硅氧基)-1,3,5,7,9,11,14-七环戊基三环[7.3.3.15,11]七硅氧烷

Database IDs

• CAS Number: 307496-30-6
• PubChem SID: 162232354
• PubChem CID: 53460445

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 10.8609
• LogD (pH = 7.4): 10.8609
• Log P: 10.8609
• Molar Refractivity: 207.1857 cm^3
• Polarizability: 106.81792 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 215-220 °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): C41H84O12Si10