ChemSpider 2D Image | Ethyl (1R,2S,6S,7S)-9-acetyl-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.2.0~2,6~]undec-10-ene-7-carboxylate | C14H19NO6

Ethyl (1R,2S,6S,7S)-9-acetyl-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.2.02,6]undec-10-ene-7-carboxylate

  • Molecular FormulaC14H19NO6
  • Average mass297.304 Da
  • Monoisotopic mass297.121246 Da
  • ChemSpider ID25943402

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,6S,7S)-9-Acétyl-4,4-diméthyl-3,5,8-trioxa-9-azatricyclo[5.2.2.02,6]undéc-10-ène-7-carboxylate d'éthyle [French] [ACD/IUPAC Name]
(1R,2S,6S,7S)-9-Acetyl-4,4-dimethyl-3,5,8-trioxa-9-aza-tricyclo[5.2.2.02,6]undec-10-ene-7-carboxylic acid ethyl ester
4,7-Etheno-4H-1,3-dioxolo[4,5-d][1,2]oxazine-4-carboxylic acid, 6-acetyl-3a,6,7,7a-tetrahydro-2,2-dimethyl-, ethyl ester, (3aS,4S,7R,7aS)- [ACD/Index Name]
Ethyl (1R,2S,6S,7S)-9-acetyl-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.2.02,6]undec-10-ene-7-carboxylate [ACD/IUPAC Name]
Ethyl-(1R,2S,6S,7S)-9-acetyl-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.2.02,6]undec-10-en-7-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 361.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 172.1±30.7 °C
Index of Refraction: 1.516
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 156.17
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.14
ACD/KOC (pH 7.4): 156.17
Polar Surface Area: 74 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 233.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement