[1,3-bis(trimethylsilyl)cyclopenta-2,4-dien-1-yl]trimethylsilane

• ChemBase ID: 137662
• Molecular Formular: C14H30Si3
• Molecular Mass: 282.6445
• Monoisotopic Mass: 282.16553056
• SMILES: C[Si](C)(C)C1=CC(C=C1)([Si](C)(C)C)[Si](C)(C)C
• Canonical SMILES: C[Si](C1=CC(C=C1)([Si](C)(C)C)[Si](C)(C)C)(C)C
• InChI: InChI=1S/C14H30Si3/c1-15(2,3)13-10-11-14(12-13,16(4,5)6)17(7,8)9/h10-12H,1-9H3
• InChIKey: IJYLKOZUPMQYFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3-bis(trimethylsilyl)cyclopenta-2,4-dien-1-yl]trimethylsilane
• IUPAC Traditional name: [1,3-bis(trimethylsilyl)cyclopenta-2,4-dien-1-yl]trimethylsilane
• Synonyms: 2,5,5-Tris(trimethylsilyl)-1,3-cyclopentadiene; 2,5,5-三(三甲基甲硅烷基)-1,3-环戊二烯

Database IDs

• CAS Number: 41991-85-9
• MDL Number: MFCD00074913
• PubChem SID: 162231924
• PubChem CID: 4181619

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3679
• LogD (pH = 7.4): 6.3679
• Log P: 6.3679
• Molar Refractivity: 72.2074 cm^3
• Polarizability: 34.125824 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 195.8 °F; 91 °C
• Density: 0.841 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.473(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: 99%
• Empirical Formula (Hill Notation): C14H30Si3