dimethoxy(methyl)octadecylsilane

• ChemBase ID: 152804
• Molecular Formular: C21H46O2Si
• Molecular Mass: 358.67424
• Monoisotopic Mass: 358.32670724
• SMILES: CCCCCCCCCCCCCCCCCC[Si](C)(OC)OC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[Si](OC)(OC)C
• InChI: InChI=1S/C21H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(4,22-2)23-3/h5-21H2,1-4H3
• InChIKey: UBCPEZPOCJYHPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxy(methyl)octadecylsilane
• IUPAC Traditional name: dimethoxy(methyl)octadecylsilane
• Synonyms: Methyl-octadecyl-dimethoxysilane; Octadecyl-methyl-dimethoxysilane; Silane-ODM-dimethoxy; Dimethoxy-methyl-octadecylsilane; 十八烷基甲基二甲氧基硅烷; 甲基十八基二甲氧基硅烷; 硅烷-ODM-二甲氧基; 二甲氧基甲基十八基硅烷

Database IDs

• CAS Number: 70851-50-2
• MDL Number: MFCD01631675
• PubChem SID: 24889991; 162246947
• PubChem CID: 116906

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.124
• LogD (pH = 7.4): 7.124
• Log P: 7.124
• Molar Refractivity: 104.1898 cm^3
• Polarizability: 43.74481 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 115 °C; 239 °F
• Density: 0.86 g/mL at 20 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves

Product Information

• Purity: >85.0% n-isomer basis (GC); >95.0% n- and iso-isomer basis (GC)
• Grade: produced by Wacker
• Empirical Formula (Hill Notation): C21H46O2Si

DETAILS

Sigma Aldrich - 94394

Other Notes
prices for bulk quantities on request
Packaging
500 g in glass bottle