ChemSpider 2D Image | (1R,2S,7S,8R,9R,11R)-7-[(2-Methyl-2-propanyl)oxy]-3,12,14-trioxa-4-azatetracyclo[9.2.1.0~2,9~.0~4,8~]tetradecan-10-one | C14H21NO5

(1R,2S,7S,8R,9R,11R)-7-[(2-Methyl-2-propanyl)oxy]-3,12,14-trioxa-4-azatetracyclo[9.2.1.02,9.04,8]tetradecan-10-one

  • Molecular FormulaC14H21NO5
  • Average mass283.320 Da
  • Monoisotopic mass283.141968 Da
  • ChemSpider ID30658649

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,7S,8R,9R,11R)-7-[(2-Methyl-2-propanyl)oxy]-3,12,14-trioxa-4-azatetracyclo[9.2.1.02,9.04,8]tetradecan-10-on [German] [ACD/IUPAC Name]
(1R,2S,7S,8R,9R,11R)-7-[(2-Methyl-2-propanyl)oxy]-3,12,14-trioxa-4-azatetracyclo[9.2.1.02,9.04,8]tetradecan-10-one [ACD/IUPAC Name]
(1R,2S,7S,8R,9R,11R)-7-[(2-Méthyl-2-propanyl)oxy]-3,12,14-trioxa-4-azatétracyclo[9.2.1.02,9.04,8]tétradécan-10-one [French] [ACD/IUPAC Name]
2,5-Epoxyoxepino[4,5-d]pyrrolo[1,2-b]isoxazol-1(2H)-one, 10-(1,1-dimethylethoxy)octahydro-, (2R,5R,5aS,10S,10aR,10bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 191.3±30.7 °C
Index of Refraction: 1.554
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.42
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.42
Polar Surface Area: 57 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 216.9±5.0 cm3

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