ChemSpider 2D Image | 2-Methyl-2-propanyl (4S)-4-[(1R,2E,4E)-1-hydroxy-2,4-pentadecadien-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate | C25H45NO4

2-Methyl-2-propanyl (4S)-4-[(1R,2E,4E)-1-hydroxy-2,4-pentadecadien-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

  • Molecular FormulaC25H45NO4
  • Average mass423.629 Da
  • Monoisotopic mass423.334869 Da
  • ChemSpider ID31138423

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S)-4-[(1R,2E,4E)-1-Hydroxy-2,4-pentadécadién-1-yl]-2,2-diméthyl-1,3-oxazolidine-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (4S)-4-[(1R,2E,4E)-1-hydroxy-2,4-pentadecadien-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4S)-4-[(1R,2E,4E)-1-hydroxy-2,4-pentadecadien-1-yl]-2,2-dimethyl-1,3-oxazolidin-3-carboxylat [German] [ACD/IUPAC Name]
3-Oxazolidinecarboxylic acid, 4-[(1R,2E,4E)-1-hydroxy-2,4-pentadecadien-1-yl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 515.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.6±6.0 kJ/mol
Flash Point: 265.3±27.3 °C
Index of Refraction: 1.488
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 116321.88
ACD/KOC (pH 5.5): 147088.50
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 116321.76
ACD/KOC (pH 7.4): 147088.33
Polar Surface Area: 59 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 431.3±3.0 cm3

Click to predict properties on the Chemicalize site


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