tris(propan-2-yloxy)silanol

• ChemBase ID: 135817
• Molecular Formular: C9H22O4Si
• Molecular Mass: 222.35408
• Monoisotopic Mass: 222.12873572
• SMILES: CC(C)O[Si](O)(OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Si](OC(C)C)(OC(C)C)O)C
• InChI: InChI=1S/C9H22O4Si/c1-7(2)11-14(10,12-8(3)4)13-9(5)6/h7-10H,1-6H3
• InChIKey: RLYZRADFTORPLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yloxy)silanol
• IUPAC Traditional name: triisopropoxysilanol
• Synonyms: Tris(isopropoxy)silanol; 三(异丙氧基)硅烷醇

Database IDs

• CAS Number: 27491-86-7
• MDL Number: MFCD09842774
• PubChem SID: 162230088
• PubChem CID: 12485644

CALCULATED PROPERTIES

• Acid pKa: 7.0114417
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8365983
• LogD (pH = 7.4): 1.3180623
• Log P: 1.8497
• Molar Refractivity: 51.2075 cm^3
• Polarizability: 22.984987 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 170.6 °F; 77 °C
• Density: 0.940 g/mL at 25 °C(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: ≥99.999% metals basis
• Linear Formula: [(H3C)2CHO]3SiOH

DETAILS

Sigma Aldrich - J100028

General description
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