2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (4R)- supplier

Name
(R)-4-BENZYL-3-(4-METHYL-PENTANOYL)-OXAZOLIDIN-2-ONE
EINECS
CAS No. 163810-26-2
Article Data5
CAS DataBase
Density 1.131g/cm³
Solubility
Melting Point
Formula C₁₆H₂₁NO₃
Boiling Point 424.9 °C at 760 mmHg
Molecular Weight 275.348
Flash Point 210.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (R)-;(R)-4-Benzyl-3-(4-methylvaleroyl)oxazolidin-2-one;
PSA 46.61000
LogP 2.95060

2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (4R)- Specification

The 2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (4R)-, with CAS registry number 163810-26-2, has the systematic name of (4R)-4-benzyl-3-(4-methylpentanoyl)-1,3-oxazolidin-2-one. Besides this, it is also called (R)-4-Benzyl-3-(4-methyl-pentanoyl)-oxazolidin-2-one. And the chemical formula of this chemical is C₁₆H₂₁NO₃.

Physical properties of 2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (4R)-: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.94; (6)ACD/BCF (pH 7.4): 42.94; (7)ACD/KOC (pH 5.5): 513.35; (8)ACD/KOC (pH 7.4): 513.35; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 75.99 cm³; (15)Molar Volume: 243.2 cm³; (16)Polarizability: 30.12×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.131 g/cm³; (19)Flash Point: 210.7 °C; (20)Enthalpy of Vaporization: 67.94 kJ/mol; (21)Boiling Point: 424.9 °C at 760 mmHg; (22)Vapour Pressure: 2E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC[C@H](N1C(=O)CCC(C)C)Cc2ccccc2
(2)InChI: InChI=1/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m1/s1
(3)InChIKey: YYUTVRHBEQTSJS-CQSZACIVBF
(4)Std. InChI: InChI=1S/C16H21NO3/c1-12(2)8-9-15(18)17-14(11-20-16(17)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m1/s1
(5)Std. InChIKey: YYUTVRHBEQTSJS-CQSZACIVSA-N

Product Name

(R)-4-BENZYL-3-(4-METHYL-PENTANOYL)-OXAZOLIDIN-2-ONE

2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (4R)- Specification

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