trimethyl(pentamethylcyclopenta-2,4-dien-1-yl)silane

• ChemBase ID: 139016
• Molecular Formular: C13H24Si
• Molecular Mass: 208.41516
• Monoisotopic Mass: 208.1647273
• SMILES: CC1=C(C(C(=C1C)C)(C)[Si](C)(C)C)C
• Canonical SMILES: CC1=C(C)C(C(=C1C)C)(C)[Si](C)(C)C
• InChI: InChI=1S/C13H24Si/c1-9-10(2)12(4)13(5,11(9)3)14(6,7)8/h1-8H3
• InChIKey: WNTWQEUDFDAMBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(pentamethylcyclopenta-2,4-dien-1-yl)silane
• IUPAC Traditional name: trimethyl(pentamethylcyclopenta-2,4-dien-1-yl)silane
• Synonyms: Trimethyl(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)silane; 三甲基(1,2,3,4,5-五甲基环戊二烯基)硅烷

Database IDs

• CAS Number: 87778-95-8
• MDL Number: MFCD00151193
• PubChem SID: 24868797; 162233267
• PubChem CID: 4338309

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5989
• LogD (pH = 7.4): 3.5989
• Log P: 3.5989
• Molar Refractivity: 62.4486 cm^3
• Polarizability: 26.452927 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100-101 °C/10 mmHg(lit.)
• Flash Point: 168.8 °F; 76 °C
• Density: 0.864 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.488(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C13H24Si

DETAILS

Sigma Aldrich - 453374

Packaging
1 g in glass bottle