ChemSpider 2D Image | (1R,2R,5S)-3-Benzyl-2-tetradecyl-6-oxa-3-azabicyclo[3.1.0]hexane | C25H41NO

(1R,2R,5S)-3-Benzyl-2-tetradecyl-6-oxa-3-azabicyclo[3.1.0]hexane

  • Molecular FormulaC25H41NO
  • Average mass371.599 Da
  • Monoisotopic mass371.318817 Da
  • ChemSpider ID30659301

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,5S)-3-Benzyl-2-tetradecyl-6-oxa-3-azabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
(1R,2R,5S)-3-Benzyl-2-tetradecyl-6-oxa-3-azabicyclo[3.1.0]hexane [ACD/IUPAC Name]
(1R,2R,5S)-3-Benzyl-2-tétradécyl-6-oxa-3-azabicyclo[3.1.0]hexane [French] [ACD/IUPAC Name]
6-Oxa-3-azabicyclo[3.1.0]hexane, 3-(phenylmethyl)-2-tetradecyl-, (1R,2R,5S)- [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: 460.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 134.2±25.5 °C
Index of Refraction: 1.516
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 16572.24
ACD/KOC (pH 5.5): 9018.57
ACD/LogD (pH 7.4): 8.20
ACD/BCF (pH 7.4): 777421.38
ACD/KOC (pH 7.4): 423070.63
Polar Surface Area: 16 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 383.5±3.0 cm3

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