diethoxy(methyl)octadecylsilane

• ChemBase ID: 137683
• Molecular Formular: C23H50O2Si
• Molecular Mass: 386.7274
• Monoisotopic Mass: 386.35800737
• SMILES: CCCCCCCCCCCCCCCCCC[Si](C)(OCC)OCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)C
• InChI: InChI=1S/C23H50O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4,24-6-2)25-7-3/h5-23H2,1-4H3
• InChIKey: DJVQMRRXRRBRIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethoxy(methyl)octadecylsilane
• IUPAC Traditional name: diethoxy(methyl)octadecylsilane
• Synonyms: Diethoxymethyloctadecylsilane; 二乙氧基甲基十八烷基硅烷

Database IDs

• CAS Number: 67859-75-0
• EC Number: 267-423-2
• MDL Number: MFCD00026674
• PubChem SID: 162231945; 24868725
• PubChem CID: 105838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.809
• LogD (pH = 7.4): 7.809
• Log P: 7.809
• Molar Refractivity: 113.687 cm^3
• Polarizability: 47.435493 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 197 °C/2 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.849 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Linear Formula: CH3(CH2)17Si(OC2H5)2CH3