ChemSpider 2D Image | Methyl 2-[(1aR,4aS,7S,8aR)-1a,4a-dimethyl-2,8-dioxooctahydro-1aH-naphtho[1,8a-b]oxiren-7-yl]acrylate | C16H20O5

Methyl 2-[(1aR,4aS,7S,8aR)-1a,4a-dimethyl-2,8-dioxooctahydro-1aH-naphtho[1,8a-b]oxiren-7-yl]acrylate

  • Molecular FormulaC16H20O5
  • Average mass292.327 Da
  • Monoisotopic mass292.131073 Da
  • ChemSpider ID30657386

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(1aR,4aS,7S,8aR)-1a,4a-Diméthyl-2,8-dioxooctahydro-1aH-naphto[1,8a-b]oxirén-7-yl]acrylate de méthyle [French] [ACD/IUPAC Name]
3H-Naphth[1,8a-b]oxirene-7-acetic acid, octahydro-1a,4a-dimethyl-α-methylene-2,8-dioxo-, methyl ester, (1aR,4aS,7S,8aR)- [ACD/Index Name]
Methyl 2-[(1aR,4aS,7S,8aR)-1a,4a-dimethyl-2,8-dioxooctahydro-1aH-naphtho[1,8a-b]oxiren-7-yl]acrylate [ACD/IUPAC Name]
Methyl-2-[(1aR,4aS,7S,8aR)-1a,4a-dimethyl-2,8-dioxooctahydro-1aH-naphtho[1,8a-b]oxiren-7-yl]acrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 189.2±28.8 °C
Index of Refraction: 1.533
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.24
ACD/KOC (pH 5.5): 170.99
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.24
ACD/KOC (pH 7.4): 170.99
Polar Surface Area: 73 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 236.3±5.0 cm3

Click to predict properties on the Chemicalize site


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