1,9-bis({bicyclo[2.2.1]hept-5-en-2-yl})-3,3,5,5,7,7-hexamethyl-4,6-dioxa-3,5,7-trisilanonane

• ChemBase ID: 138647
• Molecular Formular: C24H44O2Si3
• Molecular Mass: 448.86146
• Monoisotopic Mass: 448.26491024
• SMILES: C[Si](C)(CCC1CC2CC1C=C2)O[Si](C)(C)O[Si](C)(C)CCC1CC2CC1C=C2
• Canonical SMILES: C[Si](O[Si](CCC1CC2CC1C=C2)(C)C)(O[Si](CCC1CC2CC1C=C2)(C)C)C
• InChI: InChI=1S/C24H44O2Si3/c1-27(2,13-11-23-17-19-7-9-21(23)15-19)25-29(5,6)26-28(3,4)14-12-24-18-20-8-10-22(24)16-20/h7-10,19-24H,11-18H2,1-6H3
• InChIKey: OJLPCKNKLYMMBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,9-bis({bicyclo[2.2.1]hept-5-en-2-yl})-3,3,5,5,7,7-hexamethyl-4,6-dioxa-3,5,7-trisilanonane
• IUPAC Traditional name: 1,9-bis({bicyclo[2.2.1]hept-5-en-2-yl})-3,3,5,5,7,7-hexamethyl-4,6-dioxa-3,5,7-trisilanonane
• Synonyms: 1,1,3,3,5,5-Hexamethyl-1,5-bis[2-(5-norbornen-2-yl)ethyl]trisiloxane; 1,1,3,3,5,5-六甲基-1,5-二[2-(5-降冰片烯)乙基]三硅氧烷

Database IDs

• CAS Number: 307496-39-5
• MDL Number: MFCD02093769
• PubChem SID: 24874347; 162232898
• PubChem CID: 4149499

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.5956
• LogD (pH = 7.4): 6.5956
• Log P: 6.5956
• Molar Refractivity: 117.684 cm^3
• Polarizability: 51.718525 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 110 °C; 230 °F
• Density: 0.976 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4690(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Empirical Formula (Hill Notation): C24H44O2Si3