ChemSpider 2D Image | (1S,2R,3S,6R,10R,11S,14R,16R)-2,6-Dimethyl-19-oxa-17-azapentacyclo[14.2.1.0~2,14~.0~3,11~.0~6,10~]nonadecan-8-one | C19H29NO2

(1S,2R,3S,6R,10R,11S,14R,16R)-2,6-Dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one

  • Molecular FormulaC19H29NO2
  • Average mass303.439 Da
  • Monoisotopic mass303.219818 Da
  • ChemSpider ID114814190

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,3S,6R,10R,11S,14R,16R)-2,6-Dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-on [German] [ACD/IUPAC Name]
(1S,2R,3S,6R,10R,11S,14R,16R)-2,6-Dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-one [ACD/IUPAC Name]
(1S,2R,3S,6R,10R,11S,14R,16R)-2,6-Diméthyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadécan-8-one [French] [ACD/IUPAC Name]
2,5-Epoxycyclopenta[5,6]naphth[1,2-d]azepin-9(1H)-one, hexadecahydro-5a,7a-dimethyl-, (2R,5S,5aR,5bS,7aR,10aR,10bS,12aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.6±27.3 °C
Index of Refraction: 1.532
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 19.24
Polar Surface Area: 38 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 274.2±3.0 cm3

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