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CAS No.: | 185411-12-5 |
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Name: | METHYL 3-(TRIMETHYLSILYL)-4-PENTENOATE |
Molecular Structure: | |
Formula: | C9H18O2Si |
Molecular Weight: | 186.326 |
Synonyms: | Methyl 3-(trimethylsilyl)-4-pentenoate; |
EINECS: | 1592732-453-0 |
Density: | 0.879 g/cm3 |
Boiling Point: | 176.7 °C at 760 mmHg |
Flash Point: | 50.9 °C |
Appearance: | COLORLESS LIQUID |
PSA: | 26.30000 |
LogP: | 2.44390 |
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The 4-Pentenoic acid,3-(trimethylsilyl)-, methyl ester, with the CAS registry number 185411-12-5, is also known as Methyl 3-(trimethylsilyl)-4-pentenoate. It belongs to the product categories of C8 to C9; Carbonyl Compounds; Esters. This chemical's molecular formula is C9H18O2Si and molecular weight is 186.3235. What's more, its systematic name is Methyl 3-(trimethylsilyl)pent-4-enoate.
Physical properties about 4-Pentenoic acid,3-(trimethylsilyl)-, methyl ester are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.422; (8)Molar Refractivity: 53.92 cm3; (9)Molar Volume: 211.7 cm3; (10)Polarizability: 21.37×10-24 cm3; (11)Surface Tension: 22.3 dyne/cm; (12)Density: 0.879 g/cm3; (13)Flash Point: 50.9 °C; (14)Enthalpy of Vaporization: 41.3 kJ/mol; (15)Boiling Point: 176.7 °C at 760 mmHg; (16)Vapour Pressure: 1.08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CC(\C=C)[Si](C)(C)C
(2) InChI: InChI=1/C9H18O2Si/c1-6-8(12(3,4)5)7-9(10)11-2/h6,8H,1,7H2,2-5H3
(3) InChIKey: DJXDHDYQDMVTPZ-UHFFFAOYAE