dimethoxy(methyl)octylsilane

• ChemBase ID: 152558
• Molecular Formular: C11H26O2Si
• Molecular Mass: 218.40844
• Monoisotopic Mass: 218.1702066
• SMILES: CCCCCCCC[Si](C)(OC)OC
• Canonical SMILES: CCCCCCCC[Si](OC)(OC)C
• InChI: InChI=1S/C11H26O2Si/c1-5-6-7-8-9-10-11-14(4,12-2)13-3/h5-11H2,1-4H3
• InChIKey: GOIPELYWYGMEFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxy(methyl)octylsilane
• IUPAC Traditional name: dimethoxy(methyl)octylsilane
• Synonyms: Methyl-octyldimethoxysilane; Octylmethyldimethoxysilane; Dimethoxy(methyl)octylsilane; 甲基辛基二甲氧基硅烷; 辛基甲基二甲氧基硅烷; 二甲氧基(甲基)辛基硅烷

Database IDs

• CAS Number: 85712-15-8
• EC Number: 288-374-3
• MDL Number: MFCD00043052
• PubChem SID: 162246703; 24885682
• PubChem CID: 4178497

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.161
• LogD (pH = 7.4): 3.161
• Log P: 3.161
• Molar Refractivity: 58.1798 cm^3
• Polarizability: 25.304756 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 194 °F; 90 °C
• Density: 0.863 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.421(lit.)
• Vapor Pressure: 1.23 mmHg ( 54.4 °C)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC)
• Empirical Formula (Hill Notation): C11H26O2Si

DETAILS

Sigma Aldrich - 68215

Packaging
25 mL in glass bottle