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

• ChemBase ID: 147003
• Molecular Formular: C20H32Si
• Molecular Mass: 300.55358
• Monoisotopic Mass: 300.22732756
• SMILES: CC1=C(C(=C(C1[Si](C)(C)C1C(=C(C(=C1C)C)C)C)C)C)C
• Canonical SMILES: CC1=C(C)C(=C(C1[Si](C1C(=C(C(=C1C)C)C)C)(C)C)C)C
• InChI: InChI=1S/C20H32Si/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8/h19-20H,1-10H3
• InChIKey: ZGFFKHWCLRFAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylbis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• IUPAC Traditional name: dimethylbis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• Synonyms: Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane; 二(2,3,4,5-四甲基-2,4-环戊二烯-1-基)硅烷二甲酯

Database IDs

• CAS Number: 89597-05-7
• MDL Number: MFCD00674017
• PubChem SID: 24868294; 162241195
• PubChem CID: 601539

CALCULATED PROPERTIES

• Acid pKa: 15.577392
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9844
• LogD (pH = 7.4): 4.9844
• Log P: 4.9844
• Molar Refractivity: 93.326 cm^3
• Polarizability: 38.175777 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-68 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C20H32Si

DETAILS

Sigma Aldrich - 446750

Packaging
500 mg in glass bottle