ChemSpider 2D Image | 4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate | C37H39NO4

4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID2893403

More details:

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

1-Adamantanecarboxylate de 4-(2,2-diméthyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phénanthridin-5-yl)-2-méthoxyphényle [French] [ACD/IUPAC Name]
4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate [ACD/IUPAC Name]
4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl adamantane-1-carboxylate
4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl-1-adamantancarboxylat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-(1,2,3,4,5,6-hexahydro-2,2-dimethyl-4-oxobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl ester [ACD/Index Name]
4-(2,2-dimethyl-4-oxo(1,2,3,5,6-pentahydrobenzo[a]phenanthridin-5-yl))-2-methoxyphenyl adamantanecarboxylate
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl tricyclo[3.3.1.13,7]decane-1-carboxylate
Adamantane-1-carboxylic acid 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydro-benzo[a]phenanthridin-5-yl)-2-methoxy-phenyl ester

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

A3236/0137432 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 7.78
ACD/BCF (pH 5.5): 479753.72
ACD/KOC (pH 5.5): 405528.38
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 479842.75
ACD/KOC (pH 7.4): 405603.66
Polar Surface Area: 65 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 437.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement