ChemSpider 2D Image | (1S,2R,5S,8R)-5-[(S)-Cyclohexyl(hydroxy)methyl]-8,11,11-trimethyl-3-oxa-6-azatricyclo[6.2.1.0~2,7~]undec-6-en-4-one | C19H29NO3

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

  • Molecular FormulaC19H29NO3
  • Average mass319.439 Da
  • Monoisotopic mass319.214752 Da
  • ChemSpider ID30658898

  • 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-[(S)-Cyclohexyl(hydroxy)methyl]-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-[(S)-Cyclohexyl(hydroxy)methyl]-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-[(S)-Cyclohexyl(hydroxy)méthyl]-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-[(S)-cyclohexylhydroxymethyl]-3,5,6,7,8,8a-hexahydro-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: 476.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 241.7±26.8 °C
Index of Refraction: 1.647
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 562.29
ACD/KOC (pH 5.5): 3229.28
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 566.43
ACD/KOC (pH 7.4): 3253.07
Polar Surface Area: 59 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 238.3±7.0 cm3

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