ChemSpider 2D Image | 1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate | C30H47NO4S

1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate

  • Molecular FormulaC30H47NO4S
  • Average mass517.763 Da
  • Monoisotopic mass517.322571 Da
  • ChemSpider ID473821

More details:

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

1-([(Dicyclohexylamino)sulfonyl]methyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate [ACD/IUPAC Name]
1-[(Dicyclohexylsulfamoyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl-bicyclo[2.2.1]hept-5-en-2-carboxylat [German] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ène-2-carboxylate de 1-[(dicyclohexylsulfamoyl)méthyl]-7,7-diméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1R-[1α,2β(1S*,2R*,4R*),4α]]-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 605.6±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.1±32.1 °C
Index of Refraction: 1.575
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 148736.36
ACD/KOC (pH 5.5): 175385.34
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 148736.36
ACD/KOC (pH 7.4): 175385.34
Polar Surface Area: 72 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

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