5-[(tert-butyldimethylsilyl)oxy]pentan-1-ol

• ChemBase ID: 147343
• Molecular Formular: C11H26O2Si
• Molecular Mass: 218.40844
• Monoisotopic Mass: 218.1702066
• SMILES: CC(C)(C)[Si](C)(C)OCCCCCO
• Canonical SMILES: OCCCCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C11H26O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h12H,6-10H2,1-5H3
• InChIKey: ZPADIAOSJBISTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(tert-butyldimethylsilyl)oxy]pentan-1-ol
• IUPAC Traditional name: 5-[(tert-butyldimethylsilyl)oxy]pentan-1-ol
• Synonyms: 5-(tert-Butyldimethylsilyloxy)-1-pentanol; 5-(叔丁基二甲基硅氧基)-1-戊醇

Database IDs

• CAS Number: 83067-20-3
• MDL Number: MFCD00187970
• PubChem SID: 24867254; 162241533
• PubChem CID: 3614318

CALCULATED PROPERTIES

• Acid pKa: 16.843893
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4548
• LogD (pH = 7.4): 2.4548
• Log P: 2.4548
• Molar Refractivity: 58.5127 cm^3
• Polarizability: 25.23194 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140 °C/6 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.885 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.442(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 90%
• Linear Formula: (CH3)3CSi(CH3)2O(CH2)5OH

DETAILS

Sigma Aldrich - 435732

Other Notes
remainder 1,5-bis(tert-butyldimethylsilyoxy)pentane
Packaging
5, 25 mL in glass bottle