[2-(cyclohex-1-en-1-yl)ethynyl]trimethylsilane

• ChemBase ID: 138358
• Molecular Formular: C11H18Si
• Molecular Mass: 178.34612
• Monoisotopic Mass: 178.11777711
• SMILES: C[Si](C)(C)C#CC1=CCCCC1
• Canonical SMILES: C[Si](C#CC1=CCCCC1)(C)C
• InChI: InChI=1S/C11H18Si/c1-12(2,3)10-9-11-7-5-4-6-8-11/h7H,4-6,8H2,1-3H3
• InChIKey: VDHSOMUGLNLVQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclohex-1-en-1-yl)ethynyl]trimethylsilane
• IUPAC Traditional name: [2-(cyclohex-1-en-1-yl)ethynyl]trimethylsilane
• Synonyms: (1-Cyclohexen-1-ylethynyl)trimethylsilane; (1-环己烯-1-基乙炔基)三甲基硅烷

Database IDs

• CAS Number: 17988-44-2
• MDL Number: MFCD00075498
• PubChem SID: 162232614
• PubChem CID: 11816203

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.803
• LogD (pH = 7.4): 3.803
• Log P: 3.803
• Molar Refractivity: 51.1315 cm^3
• Polarizability: 21.884216 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 177.8 °F; 81 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C11H18Si