ChemSpider 2D Image | (1S,2R,5S,8R)-5-[(1S)-1-Hydroxy-2-methylpropyl]-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.0~2,7~]undec-6-en-4-one | C16H25NO3

(1S,2R,5S,8R)-5-[(1S)-1-Hydroxy-2-methylpropyl]-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-4-one

  • Molecular FormulaC16H25NO3
  • Average mass279.375 Da
  • Monoisotopic mass279.183441 Da
  • ChemSpider ID30658897

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,5S,8R)-5-[(1S)-1-Hydroxy-2-methylpropyl]-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-4-on [German] [ACD/IUPAC Name]
(1S,2R,5S,8R)-5-[(1S)-1-Hydroxy-2-methylpropyl]-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-4-one [ACD/IUPAC Name]
(1S,2R,5S,8R)-5-[(1S)-1-Hydroxy-2-méthylpropyl]-8,11,11-triméthyl-3-oxa-6-azatricyclo[6.2.1.02,7]undéc-6-én-4-one [French] [ACD/IUPAC Name]
5,8-Methano-2H-1,4-benzoxazin-2-one, 3,5,6,7,8,8a-hexahydro-3-[(1S)-1-hydroxy-2-methylpropyl]-5,9,9-trimethyl-, (3S,5R,8S,8aR)- [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: 418.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 206.6±26.8 °C
Index of Refraction: 1.608
Molar Refractivity: 74.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.36
ACD/KOC (pH 5.5): 900.07
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 95.02
ACD/KOC (pH 7.4): 906.42
Polar Surface Area: 59 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 216.8±7.0 cm3

Click to predict properties on the Chemicalize site


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