trimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

• ChemBase ID: 148526
• Molecular Formular: C12H22Si
• Molecular Mass: 194.38858
• Monoisotopic Mass: 194.14907724
• SMILES: CC1=C(C(=C(C1[Si](C)(C)C)C)C)C
• Canonical SMILES: CC1=C(C)C(=C(C1[Si](C)(C)C)C)C
• InChI: InChI=1S/C12H22Si/c1-8-9(2)11(4)12(10(8)3)13(5,6)7/h12H,1-7H3
• InChIKey: VEUUNIUMKJTBJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• IUPAC Traditional name: trimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• Synonyms: Trimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane; 三甲基(2,3,4,5-四甲基-2,4-环戊二烯-1-基)硅烷

Database IDs

• CAS Number: 134695-74-2
• MDL Number: MFCD00674076
• PubChem SID: 24870061; 162242701
• PubChem CID: 3456028

CALCULATED PROPERTIES

• Acid pKa: 15.953727
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6282
• LogD (pH = 7.4): 3.6282
• Log P: 3.6282
• Molar Refractivity: 57.7612 cm^3
• Polarizability: 24.60596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 45 °C/0.03 mmHg(lit.)
• Flash Point: 163 °F; 73 °C
• Density: 0.852 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.486(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H22Si

DETAILS

Sigma Aldrich - 463418

Packaging
5 mL in glass bottle