ChemSpider 2D Image | (2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl leucinate | C35H61NO3

(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl leucinate

  • Molecular FormulaC35H61NO3
  • Average mass543.864 Da
  • Monoisotopic mass543.465149 Da
  • ChemSpider ID8456079

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl leucinate [ACD/IUPAC Name]
(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ylleucinat [German] [ACD/IUPAC Name]
Leucinate de (2R)-2,5,7,8-tétraméthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
Leucine, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 607.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 58.4±27.8 °C
Index of Refraction: 1.494
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 13.09
ACD/LogD (pH 5.5): 8.68
ACD/BCF (pH 5.5): 725435.13
ACD/KOC (pH 5.5): 135884.72
ACD/LogD (pH 7.4): 10.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6329851.50
Polar Surface Area: 62 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 572.4±3.0 cm3

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