tert-butyl(3,4-dihydro-2H-pyran-6-yloxy)dimethylsilane

• ChemBase ID: 148791
• Molecular Formular: C11H22O2Si
• Molecular Mass: 214.37668
• Monoisotopic Mass: 214.13890648
• SMILES: CC(C)(C)[Si](C)(C)OC1=CCCCO1
• Canonical SMILES: C[Si](C(C)(C)C)(OC1=CCCCO1)C
• InChI: InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12-10/h8H,6-7,9H2,1-5H3
• InChIKey: RBKFRODDAPGVLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(3,4-dihydro-2H-pyran-6-yloxy)dimethylsilane
• IUPAC Traditional name: tert-butyl(5,6-dihydro-4H-pyran-2-yloxy)dimethylsilane
• Synonyms: 6-(tert-Butyldimethylsilyloxy)-3,4-dihydro-2H-pyran; 6-(叔丁基二甲基硅氧基)-3,4-二氢-2H-吡喃

Database IDs

• CAS Number: 130650-09-8
• MDL Number: MFCD00134551
• PubChem SID: 24863835; 162242965
• PubChem CID: 5173262

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2873
• LogD (pH = 7.4): 3.2873
• Log P: 3.2873
• Molar Refractivity: 66.3742 cm^3
• Polarizability: 24.334764 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125-131 °C/28 mmHg(lit.)
• Flash Point: 177.8 °F; 81 °C
• Density: 0.935 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.455(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: 95%
• Empirical Formula (Hill Notation): C11H22O2Si

DETAILS

Sigma Aldrich - 381748

Packaging
1 g in glass bottle