Methyl (R)-(+)-3-(tert-butyldimethylsilyloxy)-5-oxo-1-cyclopentene-1-heptanoate supplier

Name
METHYL (R)-(+)-3-(TERT-BUTYLDIMETHYLSILYLOXY)-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
EINECS
CAS No. 41138-69-6
Article Data9
CAS DataBase
Density 0.98 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₄O₄Si
Boiling Point 405.2 ºC at 760 mmHg
Molecular Weight 354.562
Flash Point 165.2 ºC
Transport Information
Appearance
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms 1-Cyclopentene-1-heptanoicacid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-, methyl ester, (R)-;
PSA 52.60000
LogP 4.78960

Methyl (R)-(+)-3-(tert-butyldimethylsilyloxy)-5-oxo-1-cyclopentene-1-heptanoate Specification

The Methyl (R)-(+)-3-(tert-butyldimethylsilyloxy)-5-oxo-1-cyclopentene-1-heptanoate, with its CAS registry number 41138-69-6, has the systematic name of methyl 7-[(3R)-3-{[tert-butyl(dimethyl)silyl]oxy}-5-oxocyclopent-1-en-1-yl]heptanoate. And it has the chemical formula of C₁₉H₃₄O₄Si and the molecular weight of 354.56. Besides, it is flammable, so you should keep it away from sources of ignition - No smoking.

The characteristics of Methyl (R)-(+)-3-(tert-butyldimethylsilyloxy)-5-oxo-1-cyclopentene-1-heptanoate are as follows: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 971.86; (6)ACD/BCF (pH 7.4): 971.86; (7)ACD/KOC (pH 5.5): 4787.7; (8)ACD/KOC (pH 7.4): 4787.7; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 52.6 ; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 100.11 cm³; (15)Molar Volume: 358.2 cm³; (16)Polarizability: 39.68×10^-24 cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.98 g/cm³; (19)Flash Point: 165.2 °C; (20)Enthalpy of Vaporization: 65.68 kJ/mol; (21)Boiling Point: 405.2 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-07 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C1C[C@H](\C=C1\CCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C
(2)InChI:InChI=1/C19H34O4Si/c1-19(2,3)24(5,6)23-16-13-15(17(20)14-16)11-9-7-8-10-12-18(21)22-4/h13,16H,7-12,14H2,1-6H3/t16-/m0/s1
(3)InChIKey:NIOJULSEJPAEJV-INIZCTEOBA

Product Name

METHYL (R)-(+)-3-(TERT-BUTYLDIMETHYLSILYLOXY)-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE

Methyl (R)-(+)-3-(tert-butyldimethylsilyloxy)-5-oxo-1-cyclopentene-1-heptanoate Specification

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