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615556-99-5

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Basic Information
CAS No.: 615556-99-5
Name: (R)-3-HYDROXYGLUTARATE ETHYL TERT-BUTYL TBDMS
Molecular Structure:
Molecular Structure of 615556-99-5 ((R)-3-HYDROXYGLUTARATE ETHYL TERT-BUTYL TBDMS)
Formula: C17H34O5Si
Molecular Weight: 346.53
Synonyms: Pentanedioic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1,1-dimethylethyl ethyl ester, (3R)-(9CI);1-tert-Butyl 5-ethyl (3R)-3-[(tert-butyldimethylsilyl)oxy]pentanedioate;O1-tert-butyl O5-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate;(R)-3-Hydroxyglutarate ethyl tert-butyl tbdms;tert-Butyl ethyl (r)-3-hydro-xyglutarate tbdms protected;
Density: 0.966 g/cm3
Boiling Point: 340.2 °C at 760 mmHg
Flash Point: 132.6 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22
PSA: 61.83000
LogP: 4.06180
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Specification

The Pentanedioic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) 5-ethyl ester,(3R)- with CAS registry number of 615556-99-5 is also known as (R)-3-Hydroxyglutarate ethyl tert-butyl tbdms. The systematic name is O1-tert-butyl O5-ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate. In addition, the formula is C17H34O5Si and the molecular weight is 346.53. This chemical harmful if swallowed.

Physical properties about Pentanedioic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) 5-ethyl ester,(3R)- are: (1)ACD/LogP: 5.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.45; (4)ACD/LogD (pH 7.4): 5.45  ; (5)#H bond acceptors: 5; (6)#Freely Rotating Bonds: 11; (7)Polar Surface Area: 61.83Å2; (8)Index of Refraction: 1.44; (9)Molar Refractivity: 94.7 cm3; (10)Molar Volume: 358.6 cm3; (11)Surface Tension: 27.8 dyne/cm; (12)Density: 0.966 g/cm3; (13)Flash Point: 132.6 °C; (14)Enthalpy of Vaporization: 58.38 kJ/mol; (15)Boiling Point: 340.2 °C at 760 mmHg; (16)Vapour Pressure: 8.73E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CCOC(=O)CC(CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
2. InChI: InChI=1/C17H34O5Si/c1-10-20-14(18)11-13(12-15(19)21-16(2,3)4)22-23(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m1/s1
3. InChIKey: YMWRRNKSXGCJGA-CYBMUJFWBW
4. Std. InChI: InChI=1S/C17H34O5Si/c1-10-20-14(18)11-13(12-15(19)21-16(2,3)4)22-23(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m1/s1
5. Std. InChIKey: YMWRRNKSXGCJGA-CYBMUJFWSA-N