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Name |
2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (4R)- |
EINECS | N/A |
CAS No. | 163810-26-2 | Density | 1.131g/cm3 |
PSA | 46.61000 | LogP | 2.95060 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H21NO3 | Boiling Point | 424.9 °C at 760 mmHg |
Molecular Weight | 275.348 | Flash Point | 210.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Oxazolidinone,3-(4-methyl-1-oxopentyl)-4-(phenylmethyl)-, (R)-;(R)-4-Benzyl-3-(4-methylvaleroyl)oxazolidin-2-one; |
Article Data | 5 |
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