[2-(6-methoxynaphthalen-2-yl)ethynyl]trimethylsilane

• ChemBase ID: 141986
• Molecular Formular: C16H18OSi
• Molecular Mass: 254.39902
• Monoisotopic Mass: 254.11269173
• SMILES: COc1ccc2cc(ccc2c1)C#C[Si](C)(C)C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C#C[Si](C)(C)C
• InChI: InChI=1S/C16H18OSi/c1-17-16-8-7-14-11-13(5-6-15(14)12-16)9-10-18(2,3)4/h5-8,11-12H,1-4H3
• InChIKey: CIRBLQJTKYVIDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(6-methoxynaphthalen-2-yl)ethynyl]trimethylsilane
• IUPAC Traditional name: [2-(6-methoxynaphthalen-2-yl)ethynyl]trimethylsilane
• Synonyms: (6-Methoxynaphthalen-2-ylethynyl)trimethylsilane; (6-甲氧基萘-2-基乙炔基)三甲基硅烷

Database IDs

• CAS Number: 454431-03-9
• MDL Number: MFCD05865186
• PubChem SID: 162236218; 24882547
• PubChem CID: 16217657

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7953
• LogD (pH = 7.4): 4.7953
• Log P: 4.7953
• Molar Refractivity: 69.208 cm^3
• Polarizability: 31.46921 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-103 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H413
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H18OSi

DETAILS

Sigma Aldrich - 633356

Packaging
1 g in glass bottle