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| CAS No.: | 83067-20-3 |
|---|---|
| Name: | 5-(TERT-BUTYLDIMETHYLSILYLOXY)-1-PENTANOL |
| Molecular Structure: | |
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| Formula: | C11H26O2Si |
| Molecular Weight: | 218.412 |
| Synonyms: | 5-(tert-Butyldimethylsilyloxy)-1-pentanol;5-(tert-Butyldimethylsilyloxy)pentanol;5-[(tert-Butyldimethylsilanyl)oxy]pentan-1-ol;5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-pentanol;5-{[tert-butyl(dimethyl)silyl]oxy}pentan-1-ol;1-pentanol, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-; |
| Density: | 0.874 g/cm3 |
| Boiling Point: | 249.4 °C at 760 mmHg |
| Flash Point: | 104.7 °C |
| PSA: | 29.46000 |
| LogP: | 3.17080 |
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Specification
The 1-Pentanol,5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, with the CAS registry number 83067-20-3, has the systematic name of 5-{[tert-butyl(dimethyl)silyl]oxy}pentan-1-ol. It belongs to the following product categories: Alcohols; C9 to C30; Oxygen Compounds. And the molecular formula of the chemical is C11H26O2Si.
The characteristics of 1-Pentanol,5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- are as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 105.9; (6)ACD/BCF (pH 7.4): 105.9; (7)ACD/KOC (pH 5.5): 979.56; (8)ACD/KOC (pH 7.4): 979.56; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 64.97 cm3; (15)Molar Volume: 249.7 cm3; (16)Polarizability: 25.75×10-24cm3; (17)Surface Tension: 25.3 dyne/cm; (18)Density: 0.874 g/cm3; (19)Flash Point: 104.7 °C; (20)Enthalpy of Vaporization: 56.54 kJ/mol; (21)Boiling Point: 249.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00367 mmHg at 25°C.
Uses of 1-Pentanol,5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-: It can react with tetronic acid to produce 4-[5-(tert-butyl-dimethyl-silanyloxy)-pentyloxy]-5H-furan-2-one. This reaction will need reagent PPh3 and DEAD, and the menstruum tetrahydrofuran. And the yield is about 100%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCCCCO[Si](C)(C(C)(C)C)C
(2)InChI: InChI=1/C11H26O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h12H,6-10H2,1-5H3
(3)InChIKey: ZPADIAOSJBISTI-UHFFFAOYAD