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CAS No.: | 56745-67-6 |
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Name: | 2-Cyclopenten-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H20O2Si |
Molecular Weight: | 212.364 |
Synonyms: | 4-[tert-Butyl(dimethyl)silyl]oxycyclopent-2-en-1-one; |
Density: | 0.944 g/cm3 |
Boiling Point: | 246.128 °C at 760 mmHg |
Flash Point: | 85.393 °C |
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The 2-Cyclopenten-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, with the CAS registry number 56745-67-6, is also known as 4-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-cyclopenten-1-one. This chemical's molecular formula is C11H20O2Si and molecular weight is 212.12. What's more, its IUPAC name is called 4-[tert-Butyl(dimethyl)silyl]oxycyclopent-2-en-1-one.
Physical properties about 2-Cyclopenten-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- are: (1)ACD/LogP: 2.097; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.10; (4)ACD/LogD (pH 7.4): 2.10; (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: 61.437 cm3; (15)Molar Volume: 225.074 cm3; (16)Polarizability: 24.356×10-24cm3; (17)Surface Tension: 26.04 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 85.393 °C; (20)Enthalpy of Vaporization: 48.324 kJ/mol; (21)Boiling Point: 246.128 °C at 760 mmHg; (22)Vapour Pressure: 0.0280 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C/C(O[Si](C)(C(C)(C)C)C)C1
(2) 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
(3) InChIKey: DAPZSGCXUJECAI-UHFFFAOYSA-N