[2-(1,3-dioxan-2-yl)ethynyl]trimethylsilane

• ChemBase ID: 137355
• Molecular Formular: C9H16O2Si
• Molecular Mass: 184.30764
• Monoisotopic Mass: 184.09195628
• SMILES: C[Si](C)(C)C#CC1OCCCO1
• Canonical SMILES: C[Si](C#CC1OCCCO1)(C)C
• InChI: InChI=1S/C9H16O2Si/c1-12(2,3)8-5-9-10-6-4-7-11-9/h9H,4,6-7H2,1-3H3
• InChIKey: UVQLEEYDZZAOGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1,3-dioxan-2-yl)ethynyl]trimethylsilane
• IUPAC Traditional name: [2-(1,3-dioxan-2-yl)ethynyl]trimethylsilane
• Synonyms: (1,3-Dioxan-2-ylethynyl)trimethylsilane; (1,3-二噁烷-2-乙炔基)三甲基硅烷

Database IDs

• CAS Number: 86934-41-0
• MDL Number: MFCD00192101
• PubChem SID: 162231618
• PubChem CID: 10899341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1515
• LogD (pH = 7.4): 2.1515
• Log P: 2.1515
• Molar Refractivity: 44.3345 cm^3
• Polarizability: 19.804636 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 192.2 °F; 89 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C9H16O2Si