cyclohexyltriethoxysilane

• ChemBase ID: 139582
• Molecular Formular: C12H26O3Si
• Molecular Mass: 246.41854
• Monoisotopic Mass: 246.16512122
• SMILES: CCO[Si](C1CCCCC1)(OCC)OCC
• Canonical SMILES: CCO[Si](C1CCCCC1)(OCC)OCC
• InChI: InChI=1S/C12H26O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h12H,4-11H2,1-3H3
• InChIKey: ATGKAFZFOALBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyltriethoxysilane
• IUPAC Traditional name: cyclohexyltriethoxysilane
• Synonyms: (Triethoxysilyl)cyclohexane; (三乙氧基甲硅烷基)环己烷

Database IDs

• CAS Number: 18151-84-3
• MDL Number: MFCD05664291
• PubChem SID: 162233830; 24881390
• PubChem CID: 15653995

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1836
• LogD (pH = 7.4): 3.1836
• Log P: 3.1836
• Molar Refractivity: 61.9736 cm^3
• Polarizability: 27.118982 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53 °C/0.3 mmHg(lit.)
• Flash Point: 100 °C; 212 °F
• Density: 0.930 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.43(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: (C2H5O)3SiC6H11

DETAILS

Sigma Aldrich - 592420

Packaging
5 g in glass bottle