ChemSpider 2D Image | (1S)-1-[1-(Diisopropylcarbamoyl)-8-methoxy-2-naphthyl]ethyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C30H39NO6

(1S)-1-[1-(Diisopropylcarbamoyl)-8-methoxy-2-naphthyl]ethyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

  • Molecular FormulaC30H39NO6
  • Average mass509.634 Da
  • Monoisotopic mass509.277740 Da
  • ChemSpider ID9802360

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-1-[1-(Diisopropylcarbamoyl)-8-methoxy-2-naphthyl]ethyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
(1S)-1-[1-(Diisopropylcarbamoyl)-8-methoxy-2-naphthyl]ethyl-(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat [German] [ACD/IUPAC Name]
(1S,4R)-4,7,7-Triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate de (1S)-1-[1-(diisopropylcarbamoyl)-8-méthoxy-2-naphtyl]éthyle [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1S)-1-[1-[[bis(1-methylethyl)amino]carbonyl]-8-methoxy-2-naphthalenyl]ethyl ester, (1S,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 649.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.82
ACD/KOC (pH 5.5): 2304.01
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.82
ACD/KOC (pH 7.4): 2304.01
Polar Surface Area: 82 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 436.4±3.0 cm3

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