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69171-62-6

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Basic Information
CAS No.: 69171-62-6
Name: Butanoicacid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
Article Data: 1
Molecular Structure:
Molecular Structure of 69171-62-6 (Butanoicacid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-)
Formula: C10H22O3Si
Molecular Weight: 218.368
Synonyms: 4-[(1,1-Dimethylethyl)dimethylsilyl]oxy]butanoicacid;4-[(tert-Butyldimethylsilanyl)oxy]butyric acid;
Density: 0.947 g/cm3
Boiling Point: 273.1 °C at 760 mmHg
Flash Point: 119 °C
PSA: 46.53000
LogP: 2.87300
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Specification

This chemical is called Butanoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, and its systematic name is 4-{[tert-butyl(dimethyl)silyl]oxy}butanoic acid. With the molecular formula of C10H22O3Si, its molecular weight is 218.36. The CAS registry number of this chemical is 69171-62-6.

Other characteristics of the Butanoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- can be summarised as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 10.65; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 103.34; (8)ACD/KOC (pH 7.4): 1.63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 60.37 cm3; (15)Molar Volume: 230.3 cm3; (16)Polarizability: 23.93×10-24cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 119 °C; (20)Enthalpy of Vaporization: 56.29 kJ/mol; (21)Boiling Point: 273.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00162 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)CCCO[Si](C)(C)C(C)(C)C
2.InChI: InChI=1/C10H22O3Si/c1-10(2,3)14(4,5)13-8-6-7-9(11)12/h6-8H2,1-5H3,(H,11,12)
3.InChIKey: SSKZSPIXTLWDEZ-UHFFFAOYAK