2,2,6,6-tetramethyl-4-[(trimethylsilyl)methylidene]-3,5-dioxa-2,6-disilaheptane

• ChemBase ID: 137217
• Molecular Formular: C11H28O2Si3
• Molecular Mass: 276.59532
• Monoisotopic Mass: 276.13970973
• SMILES: C[Si](C)(C)C=C(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](OC(=C[Si](C)(C)C)O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C11H28O2Si3/c1-14(2,3)10-11(12-15(4,5)6)13-16(7,8)9/h10H,1-9H3
• InChIKey: LIAZNEMTJSEKDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-4-[(trimethylsilyl)methylidene]-3,5-dioxa-2,6-disilaheptane
• IUPAC Traditional name: 2,2,6,6-tetramethyl-4-[(trimethylsilyl)methylidene]-3,5-dioxa-2,6-disilaheptane
• Synonyms: (Trimethylsilyl)ketene bis(trimethylsilyl) acetal; (三甲基硅基)乙烯酮双(三甲基硅基)乙缩醛

Database IDs

• CAS Number: 65946-59-0
• MDL Number: MFCD01632563
• PubChem SID: 162231482
• PubChem CID: 2733565

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2876
• LogD (pH = 7.4): 5.2876
• Log P: 5.2876
• Molar Refractivity: 71.6376 cm^3
• Polarizability: 30.930664 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 86 °C/10 mmHg(lit.)
• Flash Point: 105.8 °F; 41 °C
• Density: 0.848 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• 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 2

Product Information

• Purity: 97%
• Linear Formula: (CH3)3SiCH=C[OSi(CH3)3]2