ChemSpider 2D Image | (1R,2S,4S,8R,9R,12S)-14-Benzyl-6,6-dimethyl-3,5,7,10,13-pentaoxa-14-azatetracyclo[10.2.1.0~2,9~.0~4,8~]pentadecane | C18H23NO5

(1R,2S,4S,8R,9R,12S)-14-Benzyl-6,6-dimethyl-3,5,7,10,13-pentaoxa-14-azatetracyclo[10.2.1.02,9.04,8]pentadecane

  • Molecular FormulaC18H23NO5
  • Average mass333.379 Da
  • Monoisotopic mass333.157623 Da
  • ChemSpider ID30658843

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2S,4S,8R,9R,12S)-14-Benzyl-6,6-dimethyl-3,5,7,10,13-pentaoxa-14-azatetracyclo[10.2.1.02,9.04,8]pentadecan [German] [ACD/IUPAC Name]
(1R,2S,4S,8R,9R,12S)-14-Benzyl-6,6-dimethyl-3,5,7,10,13-pentaoxa-14-azatetracyclo[10.2.1.02,9.04,8]pentadecane [ACD/IUPAC Name]
(1R,2S,4S,8R,9R,12S)-14-Benzyl-6,6-diméthyl-3,5,7,10,13-pentaoxa-14-azatétracyclo[10.2.1.02,9.04,8]pentadécane [French] [ACD/IUPAC Name]
5,8-Methano-1,3-dioxolo[4,5]furo[2,3-d][1,6,2]dioxazocine, octahydro-2,2-dimethyl-6-(phenylmethyl)-, (3aS,4aS,5R,8S,10aR,10bR)- [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: 442.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 130.8±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.21
ACD/KOC (pH 5.5): 638.25
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.21
ACD/KOC (pH 7.4): 638.26
Polar Surface Area: 49 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

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