3,4-dihydro-2H-pyran-6-yldimethylsilanol

• ChemBase ID: 140305
• Molecular Formular: C7H14O2Si
• Molecular Mass: 158.27036
• Monoisotopic Mass: 158.07630622
• SMILES: C[Si](C)(C1=CCCCO1)O
• Canonical SMILES: C[Si](C1=CCCCO1)(O)C
• InChI: InChI=1S/C7H14O2Si/c1-10(2,8)7-5-3-4-6-9-7/h5,8H,3-4,6H2,1-2H3
• InChIKey: ZMDNGTLKIVNNCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydro-2H-pyran-6-yldimethylsilanol
• IUPAC Traditional name: 5,6-dihydro-4H-pyran-2-yldimethylsilanol
• Synonyms: (5,6-Dihydro-4H-pyran-2-yl)dimethylsilanol; (3,4-Dihydro-2H-pyran-6-yl)dimethylsilanol; (5,6-二氢-4H-吡喃-2-基)二甲基硅醇; (3,4-二氢-2H-吡喃-6-基)二甲基硅醇

Database IDs

• CAS Number: 304669-35-0
• MDL Number: MFCD09265116
• PubChem SID: 162234549; 24885416
• PubChem CID: 11332616

CALCULATED PROPERTIES

• Acid pKa: 11.890533
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7255998
• LogD (pH = 7.4): 1.725586
• Log P: 1.7256
• Molar Refractivity: 48.0863 cm^3
• Polarizability: 16.906132 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54 °C/0.83 mmHg; 54°C/0.8mm
• Flash Point: 195.8 °F; 91 °C; 91°C(196°F)
• Density: 1.005; 1.005 g/mL at 25 °C
• Refractive Index: 1.4750; n20/D 1.4746

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C7H14O2Si

DETAILS

Sigma Aldrich - 678155

Packaging
1, 5 g in glass bottle
Protocols & Applications
Cross-Coupling using Organosilanols as Powerful Nucleophiles