trimethyl[3-(trimethylsilyl)cyclopenta-1,4-dien-1-yl]silane

• ChemBase ID: 137808
• Molecular Formular: C11H22Si2
• Molecular Mass: 210.46338
• Monoisotopic Mass: 210.12600377
• SMILES: C[Si](C)(C)C1C=CC(=C1)[Si](C)(C)C
• Canonical SMILES: C[Si](C1C=CC(=C1)[Si](C)(C)C)(C)C
• InChI: InChI=1S/C11H22Si2/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3
• InChIKey: MSTMBYAVYPHDOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[3-(trimethylsilyl)cyclopenta-1,4-dien-1-yl]silane
• IUPAC Traditional name: trimethyl[3-(trimethylsilyl)cyclopenta-1,4-dien-1-yl]silane
• Synonyms: Bis(trimethylsilyl)cyclopentadiene,mixture of isomers; 双(三甲硅基)环戊二烯，异构体混合物

Database IDs

• CAS Number: 38927-85-4
• PubChem SID: 162232069
• PubChem CID: 11985856

CALCULATED PROPERTIES

• Acid pKa: 15.861679
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8586
• LogD (pH = 7.4): 3.8586
• Log P: 3.8586
• Molar Refractivity: 56.6082 cm^3
• Polarizability: 25.670292 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 150.8 °F; 66 °C
• Density: 0.851 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.477(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C11H22Si2

DETAILS

Sigma Aldrich - 330698

Other Notes
Isomer ratio varies with temperature