(2-ethylcyclopenta-2,4-dien-1-yl)trimethylsilane

• ChemBase ID: 138774
• Molecular Formular: C10H18Si
• Molecular Mass: 166.33542
• Monoisotopic Mass: 166.11777711
• SMILES: CCC1=CC=CC1[Si](C)(C)C
• Canonical SMILES: CCC1=CC=CC1[Si](C)(C)C
• InChI: InChI=1S/C10H18Si/c1-5-9-7-6-8-10(9)11(2,3)4/h6-8,10H,5H2,1-4H3
• InChIKey: URFZNXSMXZWHQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylcyclopenta-2,4-dien-1-yl)trimethylsilane
• IUPAC Traditional name: (2-ethylcyclopenta-2,4-dien-1-yl)trimethylsilane
• Synonyms: 1-Ethyl-5-(trimethylsilyl)-1,3-cyclopentadiene; 1-乙基-5-(三甲基硅基)-1,3-环戊二烯

Database IDs

• CAS Number: 302912-32-9
• MDL Number: MFCD01863733
• PubChem SID: 162233025
• PubChem CID: 4441236

CALCULATED PROPERTIES

• Acid pKa: 15.93795
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5643
• LogD (pH = 7.4): 3.5643
• Log P: 3.5643
• Molar Refractivity: 49.5162 cm^3
• Polarizability: 20.912067 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 181 °C(lit.)
• Flash Point: 125.6 °F; 52 °C
• Density: 0.828 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.468(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Empirical Formula (Hill Notation): C10H18Si