ChemSpider 2D Image | Methyl (1S,4S,5R,9S,10R,13S,14S)-14-(hexahydro-2-pyrimidinyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylate | C24H40N2O2

Methyl (1S,4S,5R,9S,10R,13S,14S)-14-(hexahydro-2-pyrimidinyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

  • Molecular FormulaC24H40N2O2
  • Average mass388.587 Da
  • Monoisotopic mass388.308990 Da
  • ChemSpider ID30810526
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1S,4S,5R,9S,10R,13S,14S)-14-(Hexahydro-2-pyrimidinyl)-5,9-diméthyltétracyclo[11.2.1.01,10.04,9]hexadécane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1S,4S,5R,9S,10R,13S,14S)-14-(hexahydro-2-pyrimidinyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4S,5R,9S,10R,13S,14S)-14-(hexahydro-2-pyrimidinyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-5-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 486.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.2±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 4.66
ACD/KOC (pH 5.5): 13.93
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 18.89
ACD/KOC (pH 7.4): 56.45
Polar Surface Area: 50 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 350.7±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form