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 cyclohexylcarbamate | C25H35NO4

[(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 cyclohexylcarbamate

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID22886597

  • 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 cyclohexylcarbamate [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-cyclohexylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-cyclohexyl-, [(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]
Cyclohexylcarbamate 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]
1212465-33-2 [RN]
MolPort-002-508-491
STOCK1N-00765

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.0±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±27.1 °C
Index of Refraction: 1.571
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22386.84
ACD/KOC (pH 5.5): 45217.93
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22386.59
ACD/KOC (pH 7.4): 45217.43
Polar Surface Area: 57 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 351.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement