2-Cyclopenten-1-one,4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4R)- supplier

Name
(4R)-(+)-T-BUTYLDIMETHYLSILOXY-2-CYCLOPENTEN-1-ONE
EINECS
CAS No. 61305-35-9
Article Data5
CAS DataBase
Density 0.94 g/cm³
Solubility
Melting Point 26-28 °C
Formula C₁₁H₂₀O₂Si
Boiling Point 246.1 °C at 760 mmHg
Molecular Weight 212.364
Flash Point 85.4 °C
Transport Information
Appearance
Safety
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms 2-Cyclopenten-1-one,4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (R)-;(4R)-(+)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-cyclopenten-1-one;(4R)-4-((tert-Butyldimethylsilyl)oxy)-2-cyclopenten-1-one;(R)-(+)-4-[(tert-Butyldimethylsilyl)oxy]-2-cyclopentenone;(R)-(+)-4-tert-Butyldimethylsilyloxy-2-cyclopenten-1-one;(R)-4-(tert-Butyldimethylsilyloxy)-2-cyclopenten-1-one;R)-4-(tert-Butyldimethylsilyloxy)-2-cyclopentenone;
PSA 26.30000
LogP 2.90580

2-Cyclopenten-1-one,4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4R)- Specification

The 2-Cyclopenten-1-one,4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4R)-, with CAS registry number 61305-35-9, belongs to the following product category: Pharmacetical. It has the systematic name of (4R)-4-{[tert-butyl(dimethyl)silyl]oxy}cyclopent-2-en-1-one. This chemical is a kind of white to light yellow crystals or crystalline. And the chemical formula of this chemical is C₁₁H₂₀O₂Si.

Physical properties of 2-Cyclopenten-1-one,4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4R)-: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.09; (6)ACD/BCF (pH 7.4): 23.09; (7)ACD/KOC (pH 5.5): 329.25; (8)ACD/KOC (pH 7.4): 329.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 61.43 cm³; (15)Molar Volume: 225 cm³; (16)Polarizability: 24.35×10^-24cm³; (17)Surface Tension: 26 dyne/cm; (18)Density: 0.94 g/cm³; (19)Flash Point: 85.4 °C; (20)Enthalpy of Vaporization: 48.32 kJ/mol; (21)Boiling Point: 246.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0276 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/[C@H](O[Si](C)(C(C)(C)C)C)C1
(2)InChI: InChI=1/C11H20O2Si/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,10H,8H2,1-5H3/t10-/m0/s1
(3)InChIKey: DAPZSGCXUJECAI-JTQLQIEIBG
(4)Std. InChI: InChI=1S/C11H20O2Si/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,10H,8H2,1-5H3/t10-/m0/s1
(5)Std. InChIKey: DAPZSGCXUJECAI-JTQLQIEISA-N

Product Name

(4R)-(+)-T-BUTYLDIMETHYLSILOXY-2-CYCLOPENTEN-1-ONE

2-Cyclopenten-1-one,4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4R)- Specification

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