ChemSpider 2D Image | [(11R,12R,13S)-9,11,13-Trimethyl-8,15-dioxatetracyclo[10.2.2.0~2,7~.0~9,14~]hexadeca-2,4,6-trien-12-yl]methyl propylcarbamate | C22H31NO4

[(11R,12R,13S)-9,11,13-Trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methyl propylcarbamate

  • Molecular FormulaC22H31NO4
  • Average mass373.486 Da
  • Monoisotopic mass373.225311 Da
  • ChemSpider ID22870541

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

[(11R,12R,13S)-9,11,13-Trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methyl propylcarbamate [ACD/IUPAC Name]
[(11R,12R,13S)-9,11,13-Trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-trien-12-yl]methyl-propylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-propyl-, [(3R,4S,12R)-4a,10b-dihydro-4,5,12-trimethyl-3,5-ethano-2H,5H-pyrano[3,2-c][1]benzopyran-3(4H)-yl]methyl ester [ACD/Index Name]
Propylcarbamate de [(11R,12R,13S)-9,11,13-triméthyl-8,15-dioxatétracyclo[10.2.2.02,7.09,14]hexadéca-2,4,6-trién-12-yl]méthyle [French] [ACD/IUPAC Name]
1212468-03-5 [RN]
MolPort-002-509-492
STOCK1N-04097

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.3±26.8 °C
Index of Refraction: 1.528
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6362.52
ACD/KOC (pH 5.5): 18375.08
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6362.50
ACD/KOC (pH 7.4): 18375.00
Polar Surface Area: 57 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 335.7±3.0 cm3

Click to predict properties on the Chemicalize site


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